Results for:
PubChem ID: 79

Pyridine-3-carbonitrile

Compound Details

Synonymous names
3-cyanopyridine
Nicotinonitrile
100-54-9
3-PYRIDINECARBONITRILE
pyridine-3-carbonitrile
Nicotinic acid nitrile
3-Pyridinenitrile
3-Pyridylcarbonitrile
3-Azabenzonitrile
3-Cyjanopirydyna
Nitryl kwasu nikotynowego
NSC 17558
DTXSID1026665
CHEBI:86556
MFCD00006372
NSC-17558
X64V0K6260
DTXCID606665
3-Cyjanopirydyna [Polish]
CAS-100-54-9
HSDB 5335
3-Pyridinecarboxylic acid, nitrile
Nitryl kwasu nikotynowego [Polish]
EINECS 202-863-0
BRN 0107711
AI3-15766
UNII-X64V0K6260
3-cyano pyridine
3-Pyridyl cyanide
PncA Inhibitor, 5
Pyridine, 3-cyano-
bmse000622
EC 202-863-0
SCHEMBL28776
5-22-02-00115 (Beilstein Handbook Reference)
Nicotinamidase Inhibitor, 23
3-Pyridinecarbonitrile, 98%
CHEMBL3181972
BDBM92856
NSC17558
Tox21_201669
Tox21_300354
BBL037217
STK046164
3-PYRIDINECARBONITRILE [HSDB]
AKOS000119616
3-Pyridinecarbonitrile; Nicotinonitrile
AC-2424
AM81277
FG-0468
MCULE-9131126037
SB52234
NCGC00248004-01
NCGC00248004-02
NCGC00254450-01
NCGC00259218-01
DB-023674
CS-0003918
NS00008250
EN300-18318
P19604
AC-907/25014098
W-108955
Q18730591
Z57899719
F2108-0102
6C16C9E3-90DC-4565-9F55-F6CC5D13CC33
InChI=1/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5
Microorganism:

Yes

IUPAC namepyridine-3-carbonitrile
SMILESC1=CC(=CN=C1)C#N
InchiInChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
FormulaC6H4N2
PubChem ID79
Molweight104.11
LogP0.2
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds nitriles pyridines aromatic nitrogens heterocyclic compounds
CHEBI-ID86556
Supernatural-IDSN0119584

mVOC Specific Details

Boiling Point
DegreeReference
206.9 °C peer reviewed
Volatilization
The Henry's Law constant for 3-pyridinecarbonitrile is 2.74X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that 3-pyridinecarbonitrile is not expected to volatilize from water and moist soil surfaces(2). 3-Pyridinecarbonitrile is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.296 mm Hg(3).
Soil Adsorption
The Koc of 3-pyridinecarbonitrile is estimated as 37(SRC), using a measured log Kow of 0.36(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-pyridinecarbonitrile is expected to have very high mobility in soil(SRC).
Massbank-Links

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