Results for:
PubChem ID: 1049

Pyridine

Mass-Spectra

Compound Details

Synonymous names
Pentadeuteropyridine
Azabenzene
JUJWROOIHBZHMG-UHFFFAOYSA-N
Piridina
Pirydyna
PYRIDINE
pyridine fraction
Pyridin
Azine
pyridine-ring
Pyridine, analytical standard
pyridine-
Pyridine, anhydrous
0PY
AC1Q2ARA
2-pyridinyl
4-pyridinyl
PYRIDINE, ACS
Pyridine, ACS reagent
AC1L1AM2
AC1Q2AR9
Pyridine, HPLC Grade
NH9L3PP67S
Piridina [Italian]
Pirydyna [Polish]
TRANSGENIC LECM (PYRIDINE)
Pyridin [German]
PYRIDINE- D5
Pyridine, pharmaceutical secondary standard; traceable to USP
CP 32
LS-13
Pyridine, >=99%
Pyridine, spectrophotometric grade, >=99%
UN1282
UNII-NH9L3PP67S
WLN: T6NJ
CTK0H7158
HMDB00926
HSDB 118
P0549
Pyridine, 99%
Q0034
Q0045
X4374
CHEMBL266158
RP17908
bmse000432
C00747
CCRIS 2926
LTBB002420
RCRA waste number U196
ZINC895354
DNC004080
DTXSID9021924
FEMA Number 2966
HE027241
HE095340
HE100352
HE104240
HE295400
HE313916
HE420381
NSC141574
NSC406123
STL264195
UN 1282
ZB015028
300181X
A802257
ACMC-20a483
CHEBI:16227
DSSTox_CID_1924
NCI-C55301
POLY(3 5-PYRIDINEDIYL)
PYRIDINE (15N)
AB1007260
AJ-24181
AN-22628
ANW-41400
ANW-56401
BP-13452
CJ-04471
DSSTox_GSID_21924
Caswell No. 717
DSSTox_RID_76405
MFCD00011732
Pyridine, LR, >=99%
ZINC00895354
AI3-01240
NCIOpen2_002809
NCIOpen2_007786
NCIOpen2_007866
NCIOpen2_007986
NCIOpen2_007999
NSC 406123
NSC-141574
NSC-406123
RTR-002198
TR-002198
AKOS000120998
EPA Pesticide Chemical Code 069202
Epitope ID:140099
I02-1797
J-002482
RCRA waste no. U196
FEMA No. 2966
FT-0632826
FT-0646882
FT-0654216
FT-0658212
FT-0658683
Pyridine, anhydrous, 99.8%
Pyridine, ReagentPlus(R), >=99%
Pyridine, purification grade, >=99.75%
Pyridine, suitable for hydroxyl value determination, >=99.5%
NCI60_006101
Tox21_200960
110-86-1
F0001-0227
Pyridine, ACS reagent, >=99.0%
Pyridine, AR, >=99.5%
Pyridine, 99% 500ml
Pyridine, for HPLC, >=99.9%
Pyridine, JIS special grade, >=99.5%
6999-00-4
7291-22-7
MCULE-4028120692
NCGC00091476-01
NCGC00091476-02
NCGC00258513-01
Pyridine, SAJ first grade, >=99.0%
CAS-110-86-1
EINECS 203-809-9
Pyridine, biotech. grade, >=99.9%
Pyridine, p.a., 99%
45410-39-7
62301-32-0
82005-06-9
85404-19-9
85404-20-2
Pyridine [UN1282] [Flammable liquid]
Pyridine, >=99.5% (GC)
152758-95-7
163392-20-9
628-13-7 (hydrochloride)
733733-47-6
857961-06-9
1175-EP0930075A1
1175-EP1441224A2
1175-EP2269977A2
1175-EP2269978A2
1175-EP2269985A2
1175-EP2269986A1
1175-EP2269989A1
1175-EP2269990A1
1175-EP2269991A2
1175-EP2269992A1
1175-EP2269993A1
1175-EP2270001A1
1175-EP2270002A1
1175-EP2270003A1
1175-EP2270004A1
1175-EP2270006A1
1175-EP2270008A1
1175-EP2270010A1
1175-EP2270011A1
1175-EP2270014A1
1175-EP2270015A1
1175-EP2270017A1
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1175-EP2270113A1
1175-EP2270114A1
1175-EP2270505A1
1175-EP2272509A1
1175-EP2272510A1
1175-EP2272516A2
1175-EP2272517A1
1175-EP2272537A2
1175-EP2272813A2
1175-EP2272817A1
1175-EP2272822A1
1175-EP2272825A2
1175-EP2272826A1
1175-EP2272827A1
1175-EP2272828A1
1175-EP2272832A1
1175-EP2272834A1
1175-EP2272835A1
1175-EP2272837A1
1175-EP2272838A1
1175-EP2272839A1
1175-EP2272840A1
1175-EP2272841A1
1175-EP2272844A1
1175-EP2272845A2
1175-EP2272849A1
1175-EP2272935A1
1175-EP2272972A1
1175-EP2272973A1
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1175-EP2275395A2
1175-EP2275398A1
1175-EP2275401A1
1175-EP2275404A1
1175-EP2275409A1
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1175-EP2275411A2
1175-EP2275412A1
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1175-EP2275420A1
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1175-EP2277858A1
1175-EP2277861A1
1175-EP2277865A1
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1175-EP2277875A2
1175-EP2277877A1
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1175-EP2279750A1
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1175-EP2280001A1
1175-EP2280002A1
1175-EP2280003A2
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1175-EP2280007A1
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1175-EP2281824A1
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1175-EP2284920A1
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1175-EP2298312A1
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1175-EP2298748A2
1175-EP2298750A1
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1175-EP2298758A1
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1175-EP2298761A1
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1175-EP2298767A1
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1175-EP2298770A1
1175-EP2298772A1
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1175-EP2298776A1
1175-EP2298778A1
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1175-EP2298783A1
1175-EP2298828A1
1175-EP2299509A1
1175-EP2299510A1
1175-EP2299785A1
1175-EP2299817A1
1175-EP2299819A1
1175-EP2301534A1
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1175-EP2301913A1
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1175-EP2301918A1
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1175-EP2301936A1
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1175-EP2302003A1
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1175-EP2308849A1
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1175-EP2308867A2
1175-EP2308868A1
1175-EP2308870A2
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1175-EP2309564A1
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1175-EP2311451A1
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1175-EP2311464A1
1175-EP2311796A1
1175-EP2311797A1
1175-EP2311798A1
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1175-EP2311801A1
1175-EP2311802A1
1175-EP2311803A1
1175-EP2311806A2
1175-EP2311807A1
1175-EP2311808A1
1175-EP2311809A1
1175-EP2311810A1
1175-EP2311811A1
1175-EP2311814A1
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1175-EP2311821A1
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1175-EP2311827A1
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1175-EP2311836A1
1175-EP2311837A1
1175-EP2311840A1
1175-EP2311842A2
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1175-EP2314295A1
1175-EP2314558A1
1175-EP2314574A1
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1175-EP2314576A1
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1175-EP2314584A1
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1175-EP2314593A1
1175-EP2315303A1
1175-EP2315502A1
1175-EP2316450A1
1175-EP2316452A1
1175-EP2316457A1
1175-EP2316459A1
1175-EP2316470A2
1175-EP2316824A1
1175-EP2316825A1
1175-EP2316826A1
1175-EP2316827A1
1175-EP2316829A1
1175-EP2316831A1
1175-EP2316832A1
1175-EP2316833A1
1175-EP2316834A1
1175-EP2316835A1
1175-EP2316836A1
1175-EP2316905A1
1175-EP2316906A2
1175-EP2316974A1
1175-EP2371811A2
1175-EP2371812A1
1175-EP2371814A1
1175-EP2371831A1
1175-EP2372804A1
1175-EP2374454A1
1175-EP2374783A1
1175-EP2374788A1
1175-EP2374790A1
1175-EP2374792A1
1175-EP2377510A1
1175-EP2377813A1
1175-EP2377841A1
1175-EP2378585A1
1175-EP2380568A1
1175-EP2380867A1
1175-EP2380869A1
1175-EP2380870A1
1175-EP2380874A2
543-54-4 (monosulfate)
MolPort-000-872-057
Pyridine [UN1282] [Flammable liquid]
14835-EP2272517A1
14835-EP2272846A1
14835-EP2277868A1
14835-EP2277869A1
14835-EP2277870A1
14835-EP2280002A1
14835-EP2280011A1
14835-EP2280948A1
14835-EP2284166A1
14835-EP2287158A1
14835-EP2292592A1
14835-EP2292608A1
14835-EP2292625A1
14835-EP2295422A2
14835-EP2295436A1
14835-EP2298305A1
14835-EP2298749A1
14835-EP2298750A1
14835-EP2298769A1
14835-EP2298773A1
14835-EP2305657A2
14835-EP2308852A1
14835-EP2308866A1
14835-EP2308878A2
14835-EP2311806A2
14835-EP2316457A1
14835-EP2316830A2
14835-EP2371806A1
14835-EP2371807A1
18820-82-1 (hydrobromide)
32001-55-1 (hydrofluoride)
15598-34-2 (perchlorate)
Pyridine, p.a., ACS reagent, 99.0%
Pyridine, puriss. p.a., ACS reagent, >=99.8% (GC)
InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5
Pyridine, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.8% (GC)
Pyridine, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)
Pyridine, puriss., Reag. Ph. Eur., dried, >=99.5% (GC), <=0.0075% water
Microorganism:

Yes

IUPAC namepyridine
SMILESC1=CC=NC=C1
InchiInChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
FormulaC5H5N
PubChem ID1049
Molweight79.102
LogP0.76
Atoms11
Bonds11
H-bond Acceptor1
H-bond Donor0
Chemical Classificationnitrogen compounds pyridines

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Fusarium Sp.Brock et al. 2011
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Fusarium Sp.no
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiTuber MelanosporumYes