4-Methyl-3-pyridinecarbonitrile

C₇H₆N₂CAS 5444-01-9118.14 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₇H₆N₂
Molar mass: 118.14 g/mol
Exact mass: 118.0531 Da
Melting point: 45–46 °C
Boiling point: 64 °C (at NaN Torr)
logP: 1.26Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302+H332 Harmful if swallowed or if inhaled84.4% of notifiers
H302 Harmful if swallowed97.8% of notifiers
H311 Toxic in contact with skin84.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled86.7% 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, P262, P264, P264+P265, P270, P271, P280, 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

5444-01-9

SMILES

Cc1ccncc1C#N

InChIKey

XLAPHZHNODDMDD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

3-Pyridinecarbonitrile, 4-methyl-
Nicotinonitrile, 4-methyl-
4-Picoline-3-carbonitrile
3-Cyano-4-picoline
3-Cyano-4-methylpyridine
4-Methylnicotinonitrile
4-Methyl-3-cyanopyridine
NSC 19882

Work with 4-Methyl-3-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

4-Bromo-3-pyridinecarbonitrile154237-70-455 % similar 4-Chloro-nicotinonitrile89284-61-755 % similar 2-Methylbenzonitrile529-19-154 % similar 3,4-Dimethylpyridine583-58-452 % similar 3-Fluoro-4-pyridinecarbonitrile113770-88-050 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-650 % similar 3-Bromo-4-cyanopyridine13958-98-050 % similar 3-Chloro-4-cyanopyridine68325-15-550 % 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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