1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile

C₇H₆N₂OCAS 4241-27-4134.14 g/mol

Open in Covalent MOL file

Nitrile Phenol

Properties

Molecular formula: C₇H₆N₂O
Molar mass: 134.14 g/mol
Exact mass: 134.0480 Da
Melting point: 192 °C
logP: 0.97Crippen estimate
Polar surface area: 56.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.9% of notifiers
H312 Harmful in contact with skin89.4% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled87.2% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

4241-27-4

SMILES

Cc1ccc(C#N)c(O)n1

InChIKey

FIMGYEKEYXUTGD-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

11 names

3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-
Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-
3-Cyano-6-methyl-2-pyridone
2-Hydroxy-6-methylnicotinonitrile
3-Cyano-6-methyl-2(1H)-pyridinone
3-Cyano-2-hydroxy-6-methylpyridine
6-Methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
NSC 15124
3-Cyano-6-methyl-2-pyridinone
2-Hydroxy-6-methylpyridine-3-carbonitrile
3-Cyano-6-methyl-2(1H)-pyridone

Reactions

3-CYANO-6-METHYL-2(1)-PYRIDONE (Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-)product

Work with 1,2-Dihydro-6-methyl-2-oxo-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

2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-958 % similar 3-Cyano-2-fluoro-6-picoline54957-80-158 % similar 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-850 % similar Milrinone78415-72-249 % similar 3-Cyano-2-pyridone20577-27-947 % similar 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-744 % similar 3-Bromo-6-methylpyridine-2-carbonitrile717843-48-644 % similar 6-Methylpyridine-2-carbonitrile1620-75-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-5 1H-Indazol-5-ol15579-15-4 2-Methoxy-5-pyridinecarbonitrile15871-85-9 1,3-Benzoxazol-6-amine177492-52-3 5-Hydroxy-3-methylpyridine-2-carbonitrile228867-86-5 1H-Indazol-6-ol23244-88-4 1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one32501-05-6 3-Amino-1,2-benzisoxazole36216-80-5

Elsewhere

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