5-Methyl-2-pyridinecarbonitrile

C₇H₆N₂CAS 1620-77-5118.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆N₂
Molar mass: 118.14 g/mol
Exact mass: 118.0531 Da
Melting point: 72–74 °C
Boiling point: 135–138 °C (at 28 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 swallowed20% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled40% of notifiers
H302 Harmful if swallowed60% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

1620-77-5

SMILES

Cc1ccc(C#N)nc1

InChIKey

LIEQVZZZYLHNRH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

2-Pyridinecarbonitrile, 5-methyl-
Picolinonitrile, 5-methyl-
2-Cyano-5-methylpyridine
5-Methyl-2-cyanopyridine
5-Methylpicolinonitrile

Work with 5-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

5-Chloro-2-pyridinecarbonitrile89809-64-359 % similar 2-Cyano-5-fluoropyridine327056-62-253 % similar 3-Amino-6-cyanopyridine55338-73-353 % similar 2-Cyano-5-hydroxypyridine86869-14-953 % similar 5-Bromo-2-pyridinecarbonitrile97483-77-753 % similar 5-(Bromomethyl)pyridine-2-carbonitrile308846-06-248 % similar 5,5′-Dimethyl-2,2′-bipyridine1762-34-148 % 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 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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