5-Methylpyridine-3-carbonitrile - CAS 42885-14-3

Catalog:	BB025272
Product Name:	5-Methylpyridine-3-carbonitrile
CAS:	42885-14-3
Synonyms:	5-methylpyridine-3-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methylpyridine-3-carbonitrile
Description:	5-Methylpyridine-3-carbonitrile (CAS# 42885-14-3) is a useful research chemical.
Molecular Weight:	118.14
Molecular Formula:	C7H6N2
Canonical SMILES:	CC1=CN=CC(=C1)C#N
InChI:	InChI=1S/C7H6N2/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,1H3
InChI Key:	VDWQWOXVBXURMT-UHFFFAOYSA-N
Melting Point:	83-87 °C
Purity:	95 %
MDL:	MFCD00673151
LogP:	1.26168

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Related Functional Groups

Pyridines

[14993-80-7]
2-(6-Methylpyridin-2-yl)acetonitrile
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[2122800-15-9]
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H301 (90.91%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.053098200
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	118.053098200
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9