4-Methyl-2-pyridinecarbonitrile

C₇H₆N₂CAS 1620-76-4118.14 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₇H₆N₂
Molar mass: 118.14 g/mol
Exact mass: 118.0531 Da
Melting point: 48–77 °C
Boiling point: 88.5 °C (at 2 Torr)
logP: 1.26Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed91.1% of notifiers
H315 Causes skin irritation91.1% of notifiers
H318 Causes serious eye damage88.9% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1620-76-4

SMILES

Cc1ccnc(C#N)c1

InChIKey

LQAWSWUFSHYCHP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

2-Pyridinecarbonitrile, 4-methyl-
Picolinonitrile, 4-methyl-
2-Cyano-4-methylpyridine
4-Methyl-2-cyanopyridine

Work with 4-Methyl-2-pyridinecarbonitrile

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 4-Chloro-2-cyanopyridine19235-89-355 % similar 4-Bromo-2-pyridinecarbonitrile62150-45-255 % similar 4-Aminopyridine-2-carbonitrile98139-15-255 % similar 4,4′-Dimethyl-2,2′-bipyridine1134-35-650 % similar 4-Formyl-2-pyridinecarbonitrile131747-70-150 % similar 2-Cyanopyridine100-70-948 % similar 2,4-Lutidine108-47-448 % 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 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Methylpyridine-3-carbonitrile1721-23-9 2-Aminobenzonitrile1885-29-6 3-Methylpyridine-2-carbonitrile20970-75-6 4-Cyano-2-methylpyridine2214-53-1

Elsewhere

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