4-Cyano-2-methylpyridine

C₇H₆N₂CAS 2214-53-1118.14 g/mol

Open in Covalent MOL file

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+H311+H331 Toxic if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2214-53-1

SMILES

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

InChIKey

SBWJLHPCEHEABR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Methylpyridine-4-carbonitrile

Work with 4-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

2,4-Pyridinedicarbonitrile29181-50-859 % similar 2-Bromo-4-cyanopyridine10386-27-355 % similar 2-Chloro-4-cyanopyridine33252-30-155 % similar 4-Cyano-2-fluoropyridine3939-14-855 % similar 2-Amino-4-cyanopyridine42182-27-455 % similar 5-Cyano-2-methylpyridine3222-48-852 % similar 2,4-Lutidine108-47-448 % similar 4-Cyanopyridine100-48-146 % 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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