Results for:
PubChem ID: 1049

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