Results for:
chemical Classification: pyridines

2-ethyl-5-methylpyridine

Mass-Spectra

Compound Details

Synonymous names
2-Ethyl-5-methylpyridine
18113-81-0
Pyridine, 2-ethyl-5-methyl-
5-Methyl-2-ethyl pyridine
2-ETHYL-5-METHYL-PYRIDINE
6-Ethyl-3-picoline
5-Methyl-2-ethylpyridine
2WWW2MR72E
SCHEMBL469189
DTXSID20334051
CHEBI:179424
SB54346
BS-49493
DB-365092
E78001
EN300-7613348
Microorganism:

No

IUPAC name2-ethyl-5-methylpyridine
SMILESCCC1=NC=C(C=C1)C
InchiInChI=1S/C8H11N/c1-3-8-5-4-7(2)6-9-8/h4-6H,3H2,1-2H3
FormulaC8H11N
PubChem ID519519
Molweight121.18
LogP2
Atoms9
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyridines nitrogen compounds heterocyclic compounds
CHEBI-ID179424
Supernatural-IDSN0051219

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus ClavatusNASeifert and King 1982
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus Clavatusno


5-methylthieno[3,2-b]pyridine

Compound Details

Synonymous names
5-Methylthieno[3,2-b]pyridine
1759-29-1
SCHEMBL424668
5-Methyl-thieno-[3,2-b]-pyridin
MFCD18384705
DA-20246
SY280249
E86680
Microorganism:

Yes

IUPAC name5-methylthieno[3,2-b]pyridine
SMILESCC1=NC2=C(C=C1)SC=C2
InchiInChI=1S/C8H7NS/c1-6-2-3-8-7(9-6)4-5-10-8/h2-5H,1H3
FormulaC8H7NS
PubChem ID591057
Molweight149.21
LogP2.4
Atoms10
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds sulfur compounds nitrogen compounds thioethers
Supernatural-IDSN0089229

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMoraxella Catarrhaliscould serve as potential biomarkers to distinguish between viruses and bacteriaNAAbd El Qader et al. 2015
ProkaryotaHaemophilus Influenzaecould serve as potential biomarkers to distinguish between viruses and bacteriaNAAbd El Qader et al. 2015
ProkaryotaLegionella Pneumophilacould serve as potential biomarkers to distinguish between viruses and bacteriaNAAbd El Qader et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMoraxella Catarrhalisblood cultureSPME/GC-MS no
ProkaryotaHaemophilus Influenzaeblood cultureSPME/GC-MS no
ProkaryotaLegionella Pneumophilablood cultureSPME/GC-MS no


2-nonylpyridine

Compound Details

Synonymous names
2-Nonylpyridine
10523-35-0
Pyridine, 2-nonyl-
nonylpyridine
2-Nonylpyridine #
EINECS 234-073-7
SCHEMBL918855
DTXSID00147020
NS00023358
Microorganism:

Yes

IUPAC name2-nonylpyridine
SMILESCCCCCCCCCC1=CC=CC=N1
InchiInChI=1S/C14H23N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15-14/h9-10,12-13H,2-8,11H2,1H3
FormulaC14H23N
PubChem ID82697
Molweight205.34
LogP5.1
Atoms15
Bonds8
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno


2-butylpyridine

Compound Details

Synonymous names
2-Butylpyridine
5058-19-5
2-Butyl-pyridine
Pyridine, 2-butyl-
54XCM5F4F7
NSC-969
butylpyridine
UNII-54XCM5F4F7
NSC969
EINECS 225-758-1
SCHEMBL64052
DTXSID00198597
NSC 969
AKOS006272770
AC-7561
SB54898
DB-020753
NS00022254
A828185
J-514860
W-105948
Q21546972
Microorganism:

Yes

IUPAC name2-butylpyridine
SMILESCCCCC1=CC=CC=N1
InchiInChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3
FormulaC9H13N
PubChem ID78750
Molweight135.21
LogP2.3
Atoms10
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds
Supernatural-IDSN0002866

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno


2-hexylpyridine

Compound Details

Synonymous names
2-Hexylpyridine
1129-69-7
Pyridine, 2-hexyl-
2-n-Hexylpyridine
2-(n-Hexyl)pyridine
2-HEXYL-PYRIDINE
EINECS 214-454-4
BRN 0114710
AI3-24115
2-propyl pyridine
Pyridine, 2-(n-hexyl)-
5-20-06-00161 (Beilstein Handbook Reference)
SCHEMBL733452
64D57S7HGV
FEMA NO. 4948
FEMA 4948
DTXSID10150207
CHEBI:195229
2-C6H13(c-C5H4N)
MFCD00023552
AKOS006228412
MCULE-3873309255
AS-56684
DB-021154
CS-0152299
NS00021531
D83986
A802711
W-108630
Q63398212
Microorganism:

Yes

IUPAC name2-hexylpyridine
SMILESCCCCCCC1=CC=CC=N1
InchiInChI=1S/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3
FormulaC11H17N
PubChem ID70797
Molweight163.26
LogP3.4
Atoms12
Bonds5
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds
CHEBI-ID195229

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Sp.DYGS mediaHS-SPME/GC-MSno


4,6-dimethylpyrimidine

Compound Details

Synonymous names
4,6-DIMETHYLPYRIMIDINE
1558-17-4
4,6-Dimethyl-pyrimidine
Pyrimidine, 4,6-dimethyl-
MFCD00006116
95N99D3VHB
NSC-60686
UNII-95N99D3VHB
NSC60686
EINECS 216-314-8
NSC 60686
4,6-dimethyl-pyrmidine
SCHEMBL161508
DTXSID2061777
AKOS005169878
CS-W001988
DS-1349
MCULE-6866776039
PB24534
AC-26661
AM20080404
D4282
NS00048992
EN300-82512
4,6-Dimethylpyrimidine, >=93%, technical grade
J-650334
Q-102030
Q27271806
InChI=1/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H
Microorganism:

Yes

IUPAC name4,6-dimethylpyrimidine
SMILESCC1=CC(=NC=N1)C
InchiInChI=1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H3
FormulaC6H8N2
PubChem ID15257
Molweight108.14
LogP0.6
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno


2,3,6-trimethylpyridine

Compound Details

Synonymous names
2,3,6-TRIMETHYLPYRIDINE
1462-84-6
2,3,6-Collidine
Pyridine, 2,3,6-trimethyl-
0G31C4W0MI
NSC-76593
UNII-0G31C4W0MI
EINECS 215-970-2
NSC 76593
Pyridine,3,6-trimethyl-
2,3,6-trimethyl-pyridine
UNII-S396YQ63EL
SCHEMBL82917
S396YQ63EL
DTXSID5051731
NSC76593
AKOS006274053
MCULE-7286582732
DB-042833
NS00024781
AO-801/41077394
Q27236734
Microorganism:

Yes

IUPAC name2,3,6-trimethylpyridine
SMILESCC1=C(N=C(C=C1)C)C
InchiInChI=1S/C8H11N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3
FormulaC8H11N
PubChem ID15100
Molweight121.18
LogP2
Atoms9
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds
Supernatural-IDSN0379344

mVOC Specific Details

Boiling Point
DegreeReference
172.77777777777777 median, REST, convertet to C
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno


2,3,5-trimethylpyridine

Compound Details

Synonymous names
2,3,5-Trimethylpyridine
695-98-7
2,3,5-COLLIDINE
Pyridine, 2,3,5-trimethyl-
2,3,5-Trimethyl pyridine
2,3,5-trimethyl-pyridine
MFCD00126840
33642OT638
EINECS 211-786-1
2,3,5-Collidine (2,3,5-Trimethylpyridine)
2,3,5-Trimethyl-pyridin
SCHEMBL7487
2,3,5-Collidine, 99%
DTXSID80219734
UNII-33642OT638
BCP26366
AKOS005258308
AC-6868
AM81285
CS-W011200
SB52291
AS-10876
DB-024217
A9201
NS00020874
T1722
EN300-97797
F11272
W-104616
Q27891716
Microorganism:

Yes

IUPAC name2,3,5-trimethylpyridine
SMILESCC1=CC(=C(N=C1)C)C
InchiInChI=1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3
FormulaC8H11N
PubChem ID12759
Molweight121.18
LogP2
Atoms9
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds
Supernatural-IDSN0104687

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno


1H-pyridin-4-one

Compound Details

Synonymous names
4-HYDROXYPYRIDINE
626-64-2
pyridin-4-ol
4-Pyridinol
pyridin-4(1H)-one
108-96-3
4-Pyridone
4(1H)-Pyridinone
1H-pyridin-4-one
4-Pyridinone
4-Oxopyridine
4-Pyridol
gamma-Hydroxypyridine
gamma-Pyridone
4(1H)-Pyridone
.gamma.-Pyridone
.gamma.-Hydroxypyridine
DTXSID2052310
NSC5080
3P2MV07G53
NSC-5080
MFCD00006419
MFCD00040458
NSC-146174
4pyridone
3454-03-3
NSC-26021
NSC 5080
EINECS 210-958-3
BRN 0105800
UNII-3P2MV07G53
AI3-61970
4-hydroxypridine
p-Hydroxypyridine
Pyridin-4-one
4-hydroxy-pyridine
CQG
EINECS 203-633-2
NSC 146174
4-HYDROXYPYRIDINE (4-PYRIDINOL)
4-Hydroxypyridine, 95%
1,4-dihydropyridin-4-one
1,4-Dihydro-4-pyridinone
HYDROXYPYRIDINE, 4-
5-21-07-00152 (Beilstein Handbook Reference)
MLS004491722
4-hydroxypyridine, AldrichCPR
CHEMBL237459
SR-1C7
DTXCID9030882
CHEBI:87614
CHEBI:133125
BCP08909
STR01041
EINECS 222-380-9
Tox21_303817
BBL022970
c1201
NSC146174
STL363251
AKOS000121024
AKOS022377006
AC-2927
BS-3730
CS-W007690
HY-W007690
MCULE-8174139341
PB17041
SB52275
NCGC00357095-01
CAS-626-64-2
SMR003288679
SY003367
SY112252
DB-014976
DB-040853
A8662
AM20061387
CS-0166783
H0332
NS00022560
EN300-21574
D82355
AC-907/34116018
Q230024
W-104968
Butanoic acid,heptafluoro-,1,10-decanediyl ester(9ci)
A1E9A648-09AC-4FC9-A7AF-37534D102469
InChI=1/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7
Microorganism:

Yes

IUPAC name1H-pyridin-4-one
SMILESC1=CNC=CC1=O
InchiInChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
FormulaC5H5NO
PubChem ID12290
Molweight95.1
LogP-1.3
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds
CHEBI-ID87614
Supernatural-IDSN0101988

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


3,5-dimethylpyridine

Compound Details

Synonymous names
3,5-DIMETHYLPYRIDINE
3,5-Lutidine
591-22-0
Pyridine, 3,5-dimethyl-
3,5-dimethyl-pyridine
6Q4YPZ045V
DTXSID5052254
MFCD00006404
NSC-60736
3,5-Lutdcine
3,5-dimethyl pyridine
UNII-6Q4YPZ045V
3,5 lutidine
NSC60736
EINECS 209-708-6
NSC 60736
EC 209-708-6
NCIOpen2_004681
SCHEMBL24225
3,5-Lutidine, >=98%
DTXCID0030825
3,5-Lutidine, analytical standard
BCP26361
Tox21_303943
STL280373
AKOS015891741
AM81286
MCULE-2931433741
NCGC00357179-01
AC-15531
CAS-591-22-0
DB-024152
L0068
NS00006031
EN300-82871
A832172
W-105339
Q23636070
F0001-1549
InChI=1/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H
Microorganism:

Yes

IUPAC name3,5-dimethylpyridine
SMILESCC1=CC(=CN=C1)C
InchiInChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
FormulaC7H9N
PubChem ID11565
Molweight107.15
LogP1.8
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds
Supernatural-IDSN0137726

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno


2,5-dimethylpyridine

Compound Details

Synonymous names
2,5-DIMETHYLPYRIDINE
2,5-Lutidine
589-93-5
Pyridine, 2,5-dimethyl-
2,5-dimethyl-pyridine
6L09RM76RH
NSC-5089
MFCD00006343
NSC 5089
EINECS 209-666-9
UNII-6L09RM76RH
NSC5089
5-methyl-2-methylpyridine
2,5-Lutidine, 95%
SCHEMBL31030
WLN: T6NJ B1 E1
DTXSID0060436
AKOS005258301
MCULE-9408937494
LS-13280
DB-053300
L0065
NS00022441
EN300-61695
I10249
J-507375
Q23636061
InChI=1/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H
Microorganism:

Yes

IUPAC name2,5-dimethylpyridine
SMILESCC1=CN=C(C=C1)C
InchiInChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3
FormulaC7H9N
PubChem ID11526
Molweight107.15
LogP1.6
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds
Supernatural-IDSN0441906

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno


4-pyridin-4-ylpyridine

Compound Details

Synonymous names
4,4'-Bipyridine
553-26-4
4,4'-DIPYRIDYL
4,4'-Bipyridyl
4-(4-Pyridyl)pyridine
4,4'-Dipyridine
4,4-Bipyridyl
4-pyridin-4-ylpyridine
4,4-Dipyridyl
gamma,gamma'-Bipyridyl
gamma,gamma'-Dipyridyl
4,4'-Dipyridyl hydrate
4,4-Bipyridine
.gamma.,.gamma.'-Bipyridyl
4,4-Bipyridin
NSC 404423
MFCD00006416
4-(pyridin-4-yl)pyridine
4,4'-bpy
X4O2OD61CB
.gamma.,.gamma.'-Dipyridyl
MLS000702205
DTXSID2027200
CHEBI:30985
NSC-404423
SMR000224611
37275-48-2
DTXCID107200
CAS-553-26-4
CCRIS 2363
4, 4'-Dipyridine
EINECS 209-036-3
UNII-X4O2OD61CB
BRN 0113176
AI3-00138
4,4' bipyridine
4,4'-di-pyridine
4-pyridin-4-ylpyridin
Bipyridine, 4,4'-
Maybridge3_006249
Opera_ID_1063
Dopamine Nmethyltransferase
4,4\'-Dipyridyl hydrate
SCHEMBL9728
4,4'-Dipyridyl, 98%
CBDivE_014486
5-23-08-00028 (Beilstein Handbook Reference)
Methyltransferase, dopamine N-
CHEMBL1374568
HMS1448M01
HMS2529I24
4,4'-bipyridine;4,4'-Dipyridyl
Tox21_201668
Tox21_300577
CCG-44317
NSC404423
STK868236
AKOS000528630
AC-7555
AM81315
CS-W018005
MCULE-9316653771
IDI1_017636
NCGC00163975-01
NCGC00163975-02
NCGC00163975-03
NCGC00254394-01
NCGC00259217-01
AS-11016
.GAMMA.,.GAMMA.'-DIPYRIDYL [MI]
DB-016043
A8015
B0469
EU-0068109
NS00001571
EN300-18088
D-7300
D-7304
Q229839
SR-01000400279
J-004914
SR-01000400279-1
SR-01000400279-2
Z57160158
F0900-3898
4,4'-Bipyridyl, anhydrous, PESTANAL(R), analytical standard
InChI=1/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8
Microorganism:

Yes

IUPAC name4-pyridin-4-ylpyridine
SMILESC1=CN=CC=C1C2=CC=NC=C2
InchiInChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H
FormulaC10H8N2
PubChem ID11107
Molweight156.18
LogP1.4
Atoms12
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds
CHEBI-ID30985
Supernatural-IDSN0237523

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


3-methylpyridine

Compound Details

Synonymous names
3-METHYLPYRIDINE
3-Picoline
108-99-6
beta-Picoline
Pyridine, 3-methyl-
m-Picoline
m-Methylpyridine
B-Picoline
beta-Methylpyridine
3-Methyl pyridine
.beta.-Picoline
NSC 18251
3-Mepy
.beta.-Methylpyridine
CCRIS 1722
HSDB 4254
EINECS 203-636-9
UNII-B083J4KF7F
B083J4KF7F
DTXSID9021897
CHEBI:39922
AI3-24110
3-Methylpyridine-d7
NSC-18251
METHYLPYRIDINE, 3-
DTXCID201897
EC 203-636-9
meta-Methylpyridine
CAS-108-99-6
3-methypyridine
5-methylpyridine
3-methyl pyridin
pyridine, 3-methyl
MFCD00006402
3-Methylpyridine, 99%
beta-PICOLINE (IARC)
NCIOpen2_004641
MLS001065607
CHEMBL15722
.BETA.-PICOLINE [MI]
3-Picoline, analytical standard
.BETA.-PICOLINE [IARC]
3-METHYLPYRIDINE [HSDB]
3-Methylpyridine, >=99.5%
HMS3039L05
BCP22897
BCP26368
NSC18251
Tox21_201966
Tox21_303001
STL282747
AKOS000119862
AM81278
DB01996
MCULE-7651055603
NCGC00091447-01
NCGC00091447-02
NCGC00256559-01
NCGC00259515-01
PICOLINE (FLAMMABLE LIQUID LABEL)
PD008234
SMR000568465
99.5%(GC)
DB-016018
m-Picoline [UN2313] [Flammable liquid]
NS00002252
P0416
EN300-19742
Q2697560
W-108710
F0001-0187
Z104475010
InChI=1/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H
5HS
Microorganism:

Yes

IUPAC name3-methylpyridine
SMILESCC1=CN=CC=C1
InchiInChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
FormulaC6H7N
PubChem ID7970
Molweight93.13
LogP1.2
Atoms7
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds
CHEBI-ID39922
Supernatural-IDSN0155016

mVOC Specific Details

Boiling Point
DegreeReference
144.1 °C peer reviewed
Volatilization
The Henry's Law constant for 3-methylpyridine is 7.73X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that 3-methylpyridine is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 37 days(SRC). 3-Methylpyridine's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 3-Methylpyridine is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.05 mm Hg at 25 °C(3). 3-Methylpyridine is a weak base with a pKa of 5.63(4), which indicates this compound will partially exist in the protonated form in acidic conditions, and no volatilization from water or moist soil will occur for the cation(SRC).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 3-methylpyridine can be estimated to be 115(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3-methylpyridine is expected to have high mobility in soil. The pKa of 3-methylpyridine is 5.63(3), indicating that this compound will exist partially in cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Soil studies with 2-methylpyridine(5), a compound expected to have similar sorption properties as 3-methylpryidine(SRC), demonstrated that Koc can vary with pH with lowest adsorption occurring in the non-ionized form(5).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno


3-fluoropyridine

Compound Details

Synonymous names
3-Fluoropyridine
372-47-4
Pyridine, 3-fluoro-
AP9KGY2VWZ
NSC-5078
MFCD00006374
CCRIS 1717
NSC 5078
EINECS 206-755-4
3-fluropyridine
3-fluoro-pyridine
3-Fluoro-pyridinium
UNII-AP9KGY2VWZ
3-Fluoropyridine, 99%
CHEMBL1162361
DTXSID10190688
NSC5078
BCP23075
AKOS005145578
AC-7017
CS-W011338
SB52271
BP-11394
DB-025062
AM20051123
F0207
NS00041742
EN300-21360
Q-103374
F0001-1072
InChI=1/C5H4FN/c6-5-2-1-3-7-4-5/h1-4
Microorganism:

Yes

IUPAC name3-fluoropyridine
SMILESC1=CC(=CN=C1)F
InchiInChI=1S/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H
FormulaC5H4FN
PubChem ID67794
Molweight97.09
LogP0.8
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationpyridines aromatic compounds heterocyclic compounds halogenated compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2,4,6-trimethyl-3-propan-2-ylpyridine

Compound Details

Synonymous names
89406-85-9
SCHEMBL10725037
DTXSID501272041
2,4,6-trimethyl-3-isopropylpyridine
DB-289218
2,4,6-Trimethyl-3-(1-methylethyl)pyridine
Pyridine, 2,4,6-trimethyl-3-(1-methylethyl)-
Microorganism:

Yes

IUPAC name2,4,6-trimethyl-3-propan-2-ylpyridine
SMILESCC1=CC(=NC(=C1C(C)C)C)C
InchiInChI=1S/C11H17N/c1-7(2)11-8(3)6-9(4)12-10(11)5/h6-7H,1-5H3
FormulaC11H17N
PubChem ID14363494
Molweight163.26
LogP3.1
Atoms12
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyridines heterocyclic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


4-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine

Compound Details

Synonymous names
4-Methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine
23688-50-8
1H-Pyrrolo[2,3-b]pyridine, 4-methyl-2-phenyl-
SCHEMBL1778024
PPRZWBLCPANUPB-UHFFFAOYSA-N
DTXSID801264045
4-Methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine #
Microorganism:

Yes

IUPAC name4-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=C2C=C(NC2=NC=C1)C3=CC=CC=C3
InchiInChI=1S/C14H12N2/c1-10-7-8-15-14-12(10)9-13(16-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
FormulaC14H12N2
PubChem ID610419
Molweight208.26
LogP3.3
Atoms16
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds pyridines heterocyclic compounds benzenoids nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1-(5-methylpyridin-2-yl)ethanone

Compound Details

Synonymous names
5308-63-4
2-Acetyl-5-methylpyridine
1-(5-METHYLPYRIDIN-2-YL)ETHANONE
1-(5-methyl-pyridin-2-yl)-ethanone
1-(5-METHYLPYRIDIN-2-YL)ETHAN-1-ONE
MFCD06658292
1-(5-methyl-2-pyridyl)ethanone
ETHANONE, 1-(5-METHYL-2-PYRIDINYL)-
2-Acetyl-5-picoline
1-(5-METHYL-PYRIDIN-2-YL)ETHANONE
2-acetyl-5-methyl-pyridine
SCHEMBL827893
DTXSID90517258
CHEBI:179147
AMY28417
BCP21065
1-(5-Methylpyridin-2-yl)-ethanone
AB1019
1-(5-methyl-2-pyridyl)-1-ethanone
AKOS006295634
AB25779
Methyl 5-methyl-2-pyridyl ketone, 8CI
1-(5-Methyl-2-pyridinyl)ethanone, 9CI
DS-16613
SY005233
CS-0005383
A15627
EN300-306647
J-400233
Microorganism:

Yes

IUPAC name1-(5-methylpyridin-2-yl)ethanone
SMILESCC1=CN=C(C=C1)C(=O)C
InchiInChI=1S/C8H9NO/c1-6-3-4-8(7(2)10)9-5-6/h3-5H,1-2H3
FormulaC8H9NO
PubChem ID13068663
Molweight135.16
LogP1.2
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationpyridines aromatic ketones heterocyclic compounds ketones aromatic compounds nitrogen compounds
CHEBI-ID179147
Supernatural-IDSN0340755

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno


Pyridine-3-carboxylic Acid

Compound Details

Synonymous names
nicotinic acid
niacin
59-67-6
Pyridine-3-carboxylic acid
3-pyridinecarboxylic acid
vitamin B3
3-Carboxypyridine
wampocap
Niaspan
Acidum nicotinicum
nicolar
Apelagrin
Pellagrin
Akotin
Daskil
Efacin
Pelonin
Linic
nicamin
nicobid
nicocap
Enduracin
Nicodelmine
Niconacid
Nicotinipca
Pellagramin
Direktan
Nicacid
Nicangin
Peviton
Bionic
Diacin
Nicyl
Nyclin
Niac
Vitaplex N
Davitamon PP
Nico-Span
Tega-Span
Nicocidin
Nicocrisina
Niconazid
Nicoside
Nicotamin
Nicotene
Nicovasan
Nicovasen
Nipellen
SK-Niacin
Naotin
Niacor
Nicodon
Niconat
Nicosan 3
Nicosyl
Nicotil
Tinic
3-Carboxylpyridine
Nicotine acid
nicotinate
Slo-niacin
NICO
3-Picolinic acid
Nicotinsaure
Nico-400
Acide nicotinique
Pyridine-beta-carboxylic acid
Nicagin
anti-Pellagra vitamin
Caswell No. 598
PP Factor
Kyselina nikotinova
P.P. factor
Pellagra preventive factor
S115
Nicotinsaure [German]
Acido nicotinico
3-Pyridylcarboxylic acid
m-Pyridinecarboxylic acid
Kyselina nikotinova [Czech]
MFCD00006391
niacine
CCRIS 1902
Pyridine-carboxylique-3
EPA Pesticide Chemical Code 056701
Acide nicotinique [INN-French]
Acido nicotinico [INN-Spanish]
Acidum nicotinicum [INN-Latin]
HSDB 3134
Pyridine-carboxylique-3 [French]
AI3-18994
Pyridinecarboxylic acid, 3-
Niacin [USP]
SR 4390
BRN 0109591
Niacin extended release
Nicotinic acid [INN]
NAH
CHEMBL573
beta-pyridinecarboxylic acid
NSC-169454
MLS000069603
Pyridine-.beta.-carboxylic acid
DTXSID1020932
CHEBI:15940
Niacin (USP)
2679MF687A
P.P. factor-pellagra preventive factor
CAS-59-67-6
NCGC00016268-02
SMR000059024
[5, 6-3H]-niacin
DTXCID10932
Niacin [USAN]
Nicotinicacid
NIO
Niacin (nicotinic acid)
SR-01000722017
EINECS 200-441-0
NIASPAN TITRATION STARTER PACK
NSC 169454
pellagra
Nikotinsaeure
Ncotnc acd
UNII-2679MF687A
preventative factor
antipellagra vitamin
Niaspan (TN)
3-Pyridylcarboxylate
3PyrCOOH
[3H]nicotinic acid
Niacor (TN)
Nicotinic Acid,(S)
[3H]-Nicotinic acid
Spectrum_001063
Nicotinic acid, Ph Eur
NIACIN [VANDF]
NIACIN [HSDB]
NIACIN [INCI]
Nicotinic acid (Niacin)
5-pyridinecarboxylic acid
NIACIN [FCC]
NIACIN [USP-RS]
Opera_ID_1346
Prestwick0_000881
Prestwick1_000881
Prestwick2_000881
Prestwick3_000881
Pyridine-3-carbonic acid
Spectrum2_000006
Spectrum3_000515
Spectrum4_000965
Spectrum5_001287
VITAMIN B-3
3-Pyridyl carboxylic acid
Nicotinic acid-d3(major)
WLN: T6NJ CVQ
3-pyridine carboxylic acid
bmse000104
Nicotinic acid, >=98%
Nicotinic acid, USP grade
EC 200-441-0
SCHEMBL1433
NICOTINIC ACID [MI]
Oprea1_514398
VITAMIN B3 [VANDF]
BSPBio_000662
BSPBio_002069
KBioGR_001309
KBioSS_001543
NIACIN [ORANGE BOOK]
NICOTINIC ACID [JAN]
5-22-02-00057 (Beilstein Handbook Reference)
Nicotinic acid (Vitamin B3)
BIDD:GT0644
DivK1c_000695
Nicotinic acid (JP17/INN)
SIMCOR COMPONENT NIACIN
SPECTRUM1500430
.beta.-Pyridinecarboxylic acid
SPBio_000011
SPBio_002881
ADVICOR COMPONENT NIACIN
NIACIN [USP MONOGRAPH]
NICOTINIC ACID [VANDF]
BPBio1_000730
GTPL1588
GTPL1594
NICOTINIC ACID [MART.]
NICOTINIC ACID [WHO-DD]
NICOTINIC ACID [WHO-IP]
BDBM23515
HMS502C17
KBio1_000695
KBio2_001543
KBio2_004111
KBio2_006679
KBio3_001569
ABT-919
NIACIN COMPONENT OF SIMCOR
NICOTINIC ACID [EMA EPAR]
NINDS_000695
HMS1570B04
HMS1920P17
HMS2091H22
HMS2097B04
HMS2236A05
HMS3259K21
HMS3371E07
HMS3655K08
HMS3714B04
NIACIN COMPONENT OF ADVICOR
Pharmakon1600-01500430
Nicotinic acid, analytical standard
BCP16301
HY-B0143
STR00112
Tox21_110337
Tox21_201420
Tox21_302904
AC8691
BBL037343
CCG-38340
NICOTINIC ACID [EP IMPURITY]
Nicotinic acid, for synthesis, 99%
NSC169454
NSC757241
s1744
STK301803
NICOTINIC ACID [EP MONOGRAPH]
AKOS000118980
Nicotinic acid, >=99.5% (HPLC)
Tox21_110337_1
AM81316
CS-1946
DB00627
MCULE-3788394698
NC00524
Nicotinic Acid 1.0 mg/ml in Methanol
NSC-757241
PS-4255
SDCCGMLS-0066610.P001
IDI1_000695
NCGC00016268-01
NCGC00016268-03
NCGC00016268-04
NCGC00016268-05
NCGC00016268-08
NCGC00016268-09
NCGC00016268-13
NCGC00094734-01
NCGC00094734-02
NCGC00256537-01
NCGC00258971-01
AC-22484
ACIDUM NICOTINICUM [WHO-IP LATIN]
BP-21419
NCI60_001041
Nicotinic acid, NIST(R) SRM(R) 148
Nicotinic acid, plant cell culture tested
SY011111
SBI-0051456.P003
DB-007765
Nicotinic Acid [Matrix for MALDI-TOF/MS]
AB00052050
N0082
N1103
Nicotinic acid 10 microg/mL in Acetonitrile
Nicotinic acid, purum, >=99.0% (HPLC)
NS00003500
SW197229-3
EN300-16693
C00253
D00049
Nicotinic acid, SAJ special grade, >=99.5%
AB00052050-13
AB00052050_14
AB00052050_15
Nicotinic acid, meets USP testing specifications
AC-907/25014105
L001199
METHYL NICOTINATE IMPURITY A [EP IMPURITY]
Nicotinic acid, Vetec(TM) reagent grade, >=98%
Q134658
J-523605
SR-01000722017-2
SR-01000722017-3
SR-01000722017-4
Z56755709
3DDB011E-F3A6-45B6-A2D2-77B2A6E8936E
F2191-0082
Niacin, United States Pharmacopeia (USP) Reference Standard
Nicotinic acid, certified reference material, TraceCERT(R)
Nicotinic acid, European Pharmacopoeia (EP) Reference Standard
Nicotinic acid, matrix substance for MALDI-MS, >=99.5% (HPLC)
InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9
Nicotinic acid, for inorganic trace analysis, >=99.999% (metals basis)
Niacin (Nicotinic Acid), Pharmaceutical Secondary Standard; Certified Reference Material
101113-41-1
Nicotinic acid, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture, >=98%
Microorganism:

Yes

IUPAC namepyridine-3-carboxylic acid
SMILESC1=CC(=CN=C1)C(=O)O
InchiInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
FormulaC6H5NO2
PubChem ID938
Molweight123.11
LogP0.4
Atoms9
Bonds1
H-bond Acceptor3
H-bond Donor1
Chemical Classificationpyridines aromatic compounds organic acids carboxylic acids acids heterocyclic compounds nitrogen compounds
CHEBI-ID15940
Supernatural-IDSN0296292

mVOC Specific Details

Boiling Point
DegreeReference
NA NA peer reviewed
Volatilization
A pKa of 4.75(1) indicates nicotinic acid will exist almost entirely in the anion form at pH values of 5 to 9 and, therefore, volatilization from water surfaces is not expected to be an important fate process(SRC). Nicotinic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a an estimated vapor pressure of 9.4X10-5 mm Hg(SRC), determined from a fragment constant method(2).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of nicotinic acid can be estimated to be 8(SRC). According to a classification scheme(2), this estimated Koc value suggests that nicotinic acid is expected to have very high mobility in soil. The pKa of nicotinic acid is 4.75(3), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
Massbank-Links
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005708
Massbank Spectrum MSBNK-Fiocruz-FIO00515
Massbank Spectrum MSBNK-Fiocruz-FIO00516
Massbank Spectrum MSBNK-Fiocruz-FIO00517
Massbank Spectrum MSBNK-Fiocruz-FIO00518
Massbank Spectrum MSBNK-Fiocruz-FIO00519
Massbank Spectrum MSBNK-Kazusa-KZ000065
Massbank Spectrum MSBNK-Kazusa-KZ000167
Massbank Spectrum MSBNK-Keio_Univ-KO001502
Massbank Spectrum MSBNK-Keio_Univ-KO001503
Massbank Spectrum MSBNK-Keio_Univ-KO001504
Massbank Spectrum MSBNK-Keio_Univ-KO001505
Massbank Spectrum MSBNK-Keio_Univ-KO001506
Massbank Spectrum MSBNK-Keio_Univ-KO003587
Massbank Spectrum MSBNK-Keio_Univ-KO003588
Massbank Spectrum MSBNK-Keio_Univ-KO003589
Massbank Spectrum MSBNK-Keio_Univ-KO003590
Massbank Spectrum MSBNK-Keio_Univ-KO003591
Massbank Spectrum MSBNK-LCSB-LU048801
Massbank Spectrum MSBNK-LCSB-LU048802
Massbank Spectrum MSBNK-LCSB-LU048803
Massbank Spectrum MSBNK-LCSB-LU048804
Massbank Spectrum MSBNK-LCSB-LU048805
Massbank Spectrum MSBNK-LCSB-LU048806
Massbank Spectrum MSBNK-Osaka_Univ-OUF00390
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS007601
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS007602
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS007603
Massbank Spectrum MSBNK-RIKEN_ReSpect-PT100760
Massbank Spectrum MSBNK-RIKEN_ReSpect-PT200760
Massbank Spectrum MSBNK-RIKEN-PR010189
Massbank Spectrum MSBNK-RIKEN-PR100045
Massbank Spectrum MSBNK-RIKEN-PR100046
Massbank Spectrum MSBNK-RIKEN-PR100505

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAKaeslin et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaBHISESI-MSno


1-pyridin-2-ylethanone

Mass-Spectra

Compound Details

Synonymous names
2-ACETYLPYRIDINE
1122-62-9
1-(pyridin-2-yl)ethanone
1-pyridin-2-ylethanone
Methyl 2-pyridyl ketone
Acetylpyridine
Ketone, methyl 2-pyridyl
2-Pyridyl methyl ketone
2-Acetopyridine
1-Pyridin-2-yl-ethanone
Ethanone, 1-(2-pyridinyl)-
1-(2-Pyridinyl)ethanone
Acetyl pyridine
1-(Pyridin-2-Yl)Ethan-1-One
MFCD00006303
FEMA No. 3251
FEMA 3251
1-(2-Pyridyl)-1-ethanone
CHEMBL11945
DTXSID7024409
629O10UI3L
2-acetyl pyridine
NSC-15043
30440-88-1
Ethanone, 1-(pyridinyl)-
DTXCID804409
2-Acetylpyridine (natural)
CAS-1122-62-9
CCRIS 7784
1-(2-PYRIDYL)ETHANONE
EINECS 214-355-6
NSC 15043
UNII-AQQ7807JD8
UNII-629O10UI3L
AI3-52210
2-acetyipyridine
2-acetyl-pyridine
1-Pyridin-2-ylmethanone
1-(pyridine-2-yl)ethanone
SCHEMBL55127
1-(2-Pyridinyl)ethanone #
2-Acetylpyridine, >=99%
MLS002152864
AQQ7807JD8
2-ACETYLPYRIDINE [FHFI]
1-(2-Pyridinyl)ethanone, 9CI
2-Acetylpyridine, >=99%, FG
CHEBI:193619
HMS2268O15
1-(2-PYRIDINYL)-ETHANONE
2-ACETYLPYRIDINE [USP-RS]
NSC15043
Tox21_201499
Tox21_303104
BDBM50026891
STL145899
2-Acetylpyridine, analytical standard
AKOS000119795
AB00686
CS-W008602
MCULE-7714885820
NCGC00091706-01
NCGC00091706-02
NCGC00256952-01
NCGC00259050-01
AS-14447
SMR000112288
DB-015932
A0111
AM20061676
NS00018664
EN300-19607
P19605
A802529
doi:10.14272/AJKVQEKCUACUMD-UHFFFAOYSA-N.1
Q-100067
Q4596853
F0001-0271
Z104474432
InChI=1/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H
2-Acetylpyridine, United States Pharmacopeia (USP) Reference Standard
Microorganism:

Yes

IUPAC name1-pyridin-2-ylethanone
SMILESCC(=O)C1=CC=CC=N1
InchiInChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
FormulaC7H7NO
PubChem ID14286
Molweight121.14
LogP0.9
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic ketones heterocyclic compounds nitrogen compounds pyridines aromatic compounds ketones
CHEBI-ID193619
Supernatural-IDSN0007210

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEnterobacter Agglomeransn/aNASchulz and Dickschat 2007
EukaryotaPleurotus EryngiinanaUsami et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEnterobacter Agglomeransn/an/ano
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno


Pyridine

Mass-Spectra

Compound Details

Synonymous names
PYRIDINE
Azabenzene
110-86-1
Azine
Pyridin
Piridina
Pirydyna
Pyridin [German]
Pirydyna [Polish]
Piridina [Italian]
RCRA waste number U196
Caswell No. 717
NCI-C55301
FEMA No. 2966
FEMA Number 2966
CCRIS 2926
HSDB 118
CHEBI:16227
CP 32
EINECS 203-809-9
NSC 406123
pyridine-ring
pyridine-
UNII-NH9L3PP67S
NH9L3PP67S
EPA Pesticide Chemical Code 069202
DTXSID9021924
AI3-01240
NSC-141574
NSC-406123
PYRIDINE (15N)
DTXCID101924
EC 203-809-9
MFCD00011732
PYRIDINE (IARC)
PYRIDINE [IARC]
Pyridine [UN1282] [Flammable liquid]
PYRIDINE (USP-RS)
PYRIDINE [USP-RS]
Pyridine, ACS reagent, >=99.0%
Pyridine, ReagentPlus(R), >=99%
UN1282
CEFTAZIDIME IMPURITY F (EP IMPURITY)
CEFTAZIDIME IMPURITY F [EP IMPURITY]
RCRA waste no. U196
CEFTAZIDIME PENTAHYDRATE IMPURITY F (EP IMPURITY)
CEFTAZIDIME PENTAHYDRATE IMPURITY F [EP IMPURITY]
hydropyridine
N-pyridine
pyridine fraction
3-pyridinyl
[pyridine]
2-pyridine
4-pyridine
Pyridine II
Pyridine III
3-Pyridine
Pyridine anhydrous
Azabenzene; Azine
0PY
Pyridine, anhydrous
Pyridine, 99%
Pyridine, ACS reagent
Pyridine, >=99%
Pyridine, HPLC Grade
PYRIDINE [FHFI]
PYRIDINE [HSDB]
PYRIDINE [MI]
bmse000432
Epitope ID:140099
WLN: T6NJ
Pyridine, p.a., 99%
NCIOpen2_002809
NCIOpen2_007786
NCIOpen2_007866
NCIOpen2_007986
NCIOpen2_007999
Pesticide Code: 069202
Pyridine, LR, >=99%
Pyridine, analytical standard
Pyridine, anhydrous, 99.8%
CHEMBL266158
Pyridine, AR, >=99.5%
Pyridine, >=99.5% (GC)
DTXSID101318102
BCP23599
Pyridine, for HPLC, >=99.9%
Tox21_200960
BDBM50176909
NSC141574
NSC406123
Pyridine, anhydrous Water 30ppm Max
STL264195
AKOS000120998
MCULE-4028120692
Pyridine, biotech. grade, >=99.9%
UN 1282
NCGC00091476-01
NCGC00091476-02
NCGC00258513-01
Pyridine, SAJ first grade, >=99.0%
BP-13452
CAS-110-86-1
NCI60_006101
Pyridine, JIS special grade, >=99.5%
Pyridine, p.a., ACS reagent, 99.0%
Pyridine, purification grade, >=99.75%
DB-220141
Pyridine, spectrophotometric grade, >=99%
NS00010113
Q0034
EN300-17264
C00747
A802257
Q210385
J-002482
InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5
F0001-0227
Pyridine, puriss. p.a., ACS reagent, >=99.8% (GC)
Pyridine, suitable for hydroxyl value determination, >=99.5%
Pyridine; Azabenzene; Azine; CP 32; NSC 141574; NSC 406123
Pyridine, Pharmaceutical Secondary Standard; Certified Reference Material
Pyridine, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)
0.25 M Hyacinth BMT solution BMT in anhydrous Acetonitrile, NC-0102 emp Biotech GmbH
Pyridine, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.8% (GC)
Pyridine, puriss., Reag. Ph. Eur., dried, >=99.5% (GC), <=0.0075% water
Solvent Mix Pyridine in ACN (V / V = 60 : 40) NC-0612, GL45 thread emp Biotech GmbH
29761-81-7
Pyridine for oligo synthesis (Water content < 30 ppm) NC-0604 2.5 L GL45 thread emp Biotech GmbH
Microorganism:

Yes

IUPAC namepyridine
SMILESC1=CC=NC=C1
InchiInChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
FormulaC5H5N
PubChem ID1049
Molweight79.1
LogP0.7
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds heterocyclic compounds pyridines nitrogen compounds
CHEBI-ID16227
Supernatural-IDSN0175542

mVOC Specific Details

Boiling Point
DegreeReference
115.2 °C peer reviewed
Volatilization
The Henry's Law constant for pyridine is 1.1X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that pyridine is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 days(SRC). The volatilization half- life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 25 days(SRC). Pyridine's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Pyridine is a weak base with a pKa of 5.23(3), which indicates this compound will partially exist in the protonated form in acidic conditions, and no volatilization from water or moist soil will occur for the cation(SRC). The potential for volatilization of pyridine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 20.8 mm Hg(4).
Literature: (1) Hawthorne SB et al; Environ Sci Technol 19: 922-927 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Bintein S, Devillers J; Chemosphere 28: 1171-88 (1994) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of pyridine is estimated as 50(SRC), using a measured log Kow of 0.65(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pyridine is expected to have high mobility in soil. The pKa of pyridine is 5.23(4), which indicates that pyridine will partially exist in the protonated form under acidic conditions and cations adsorb more strongly to soil surfaces than neutral molecules(SRC). The adsorption of pyridine to a basic subsoil (pH 8.15, 0.58% organic carbon) is negligible, while in an acidic subsoil (pH 4.85, O.24% organic carbon), the Freundlich adsorption constant was measured to be 5.78 and the slope 0.679(5). This suggests a cationic adsorption mechanism as pyridine is predominantly in its protonated form. Pyridine adsorbs to colloidal particles of sodium montmorillonite and kaolinite, a process which is attributed to cation exchange and is a function of pH(5). Adsorption is at a minimum at pH 1 and 11 and reaches a maximum at pH 4 for the montmorillonite and pH 5.5 for the kaolinite where the adsorption constants are 60 and 10, respectively(6).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 12 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Bintein S, Devillers J; Chemosphere 28: 1171-88 (1994) (5) Felice LJ et al; Quinoline Partitioning In Substance Materials Adsorption, Desorption, and Solute Competition PNL-SA-11728 Battelle Pacific NW Labs pp. 19 (1984) (6) Baker RA, Lu MD; Water Res 5: 839-48 (1971)
Vapor Pressure
PressureReference
20.8 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
MS-MS Spectrum 4884 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 4883 - EI-B (HITACHI RMU-7M) Positive
MS-MS Spectrum 4887 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Positive
MS-MS Spectrum 225461
MS-MS Spectrum 4888 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Positive
MS-MS Spectrum 1315 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 4889 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Positive
MS-MS Spectrum 225459
MS-MS Spectrum 225452
MS-MS Spectrum 4882 - EI-B (Unknown) Positive
MS-MS Spectrum 225462
MS-MS Spectrum 225454
MS-MS Spectrum 225463
MS-MS Spectrum 4885 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Positive
MS-MS Spectrum 225456
MS-MS Spectrum 225457
MS-MS Spectrum 1316 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 4886 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Positive
MS-MS Spectrum 225455
MS-MS Spectrum 4881 - EI-B (MX-1303) Positive
MS-MS Spectrum 1317 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 225453
MS-MS Spectrum 225451
MS-MS Spectrum 225458
MS-MS Spectrum 225460
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
EukaryotaTausonia Pullulansinhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaFusarium Sp.NABrock et al. 2011
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
Lentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
EukaryotaTausonia Pullulansartificial nectar mediaGC-MSno
EukaryotaFusarium Sp.no
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaTuber Melanosporumyes
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno