2-Methylpyridine-3-carbonitrile

C₇H₆N₂CAS 1721-23-9118.14 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₇H₆N₂
Molar mass: 118.14 g/mol
Exact mass: 118.0531 Da
logP: 1.26Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1721-23-9

SMILES

CC1=C(C=CC=N1)C#N

InChIKey

UBKKNWJGYLSDSJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2/c1-6-7(5-8)3-2-4-9-6/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Cyano-2-methylpyridine

Work with 2-Methylpyridine-3-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methoxy-3-pyridinecarbonitrile7254-34-459 % similar Pyridine-2,3-dicarbonitrile17132-78-459 % similar 2-Bromopyridine-3-carbonitrile20577-26-855 % similar 3-Cyano-2-pyridone20577-27-955 % similar 2-Amino-3-cyanopyridine24517-64-455 % similar 2-Fluoro-3-pyridinecarbonitrile3939-13-755 % similar 2-Chloro-3-cyanopyridine6602-54-655 % similar 2-Phenoxy-3-pyridinecarbonitrile14178-15-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4 Pyridin-4-yl-acetonitrile13121-99-8 6-Methylpyridine-2-carbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Aminobenzonitrile1885-29-6 3-Methylpyridine-2-carbonitrile20970-75-6 4-Cyano-2-methylpyridine2214-53-1

Elsewhere

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