chempirical

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

C8H8N2OCAS 769-28-8148.17 g/mol

Open in Covalent MOL file
NOHN
NitrilePhenol

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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

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-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 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-444 % similar 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile27074-03-940 % similar 4-Hydroxy-3,5-dimethylbenzonitrile4198-90-739 % similar 4-Bromo-6-methyl-2-pyridinecarbonitrile886372-53-838 % 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 4-Amino-2,3-dihydro-1H-isoindol-1-one366452-98-4 1H-Benzimidazole-2-methanol4856-97-7 5-Methoxybenzimidazole4887-80-3

Elsewhere

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