4-Methyl-3-pyridinecarbonitrile

C₇H₆N₂CAS 5444-01-9118.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆N₂
Molar mass: 118.14 g/mol
Exact mass: 118.0531 Da
Melting point: 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

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 3,4-Dimethylpyridine583-58-452 % similar 3-Fluoro-4-pyridinecarbonitrile113770-88-050 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-650 % similar 2,5-Dimethylbenzonitrile13730-09-148 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile878194-92-446 % similar 2-Bromo-5-cyano-4-picoline1003711-35-046 % similar 6-Chloro-4-methyl-3-pyridinecarbonitrile66909-35-146 % 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-Methyl-2-pyridinecarbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Aminobenzonitrile1885-29-6 3-Methyl-2-pyridinecarbonitrile20970-75-6 3-Aminobenzonitrile2237-30-1

Elsewhere

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