5-Cyano-2-methylpyridine

C₇H₆N₂CAS 3222-48-8118.14 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

Danger

H301 Toxic if swallowed88.9% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation13.3% of notifiers
H318 Causes serious eye damage86.7% of notifiers
H319 Causes serious eye irritation13.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

3222-48-8

SMILES

CC1=NC=C(C=C1)C#N

InChIKey

PBLOYQAQGYUPCM-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

6-Methylpyridine-3-carbonitrile

Work with 5-Cyano-2-methylpyridine

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

[2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-559 % similar 2-Bromo-5-cyanopyridine139585-70-953 % similar 6-Chloronicotinonitrile33252-28-753 % similar 2-Fluoropyridine-5-carbonitrile3939-12-653 % similar 2-Methoxy-5-pyridinecarbonitrile15871-85-953 % similar 4-Cyano-2-methylpyridine2214-53-152 % similar 5-Cyano-2-(trifluoromethyl)pyridine216431-85-548 % similar 4-Methylbenzonitrile104-85-846 % 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-Methylpyridine-3-carbonitrile1721-23-9 2-Aminobenzonitrile1885-29-6 3-Methylpyridine-2-carbonitrile20970-75-6

Elsewhere

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