3-Cyano-4,6-dimethyl-2-hydroxypyridine

C₈H₈N₂OCAS 769-28-8148.17 g/mol

Open in Covalent MOL file

Nitrile Phenol

Properties

Molecular formula: C₈H₈N₂O
Molar mass: 148.17 g/mol
Exact mass: 148.0637 Da
Melting point: 286 °C
logP: 1.28Crippen 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 skin89.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled87.5% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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

769-28-8

SMILES

Cc1cc(C)c(C#N)c(O)n1

InChIKey

OCYMJCILWYHKAU-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)

Weigh it out

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

Names and synonyms

10 names

3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-
Nicotinonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-
1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinecarbonitrile
3-Cyano-4,6-dimethyl-2(1H)-pyridone
3-Cyano-4,6-dimethyl-2(1H)-pyridinone
3-Cyano-4,6-dimethyl-2-pyridone
NSC 52066
NSC 54161
2-Hydroxy-4,6-dimethylpyridine-3-carbonitrile
4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Work with 3-Cyano-4,6-dimethyl-2-hydroxypyridine

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

1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-070 % similar 2-Chloro-3-cyano-4,6-dimethylpyridine14237-71-960 % similar 2-Mercapto-4,6-dimethylnicotinonitrile54585-47-660 % similar 4-Hydroxy-2,6-dimethylbenzonitrile58537-99-852 % similar 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-450 % similar 2,4,6-Trimethylbenzonitrile2571-52-045 % similar 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-444 % similar 5-Hydroxy-3-methylpyridine-2-carbonitrile228867-86-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,3-Benzoxazol-2-yl)methanamine101333-98-6 5-(Hydroxymethyl)-1H-benzimidazole106429-29-2 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-9 7-Methoxy-6-azaindole160590-40-9 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-8 5-Aminooxindole20876-36-2 5-Aminoisoindolin-1-one222036-66-0 2-Amino-5-methoxybenzonitrile23842-82-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook