chempirical

1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile

C8H8N2O2CAS 27074-03-9164.16 g/mol

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OHNON
NitrilePhenol

Properties

Molecular formula
C8H8N2O2
Molar mass
164.16 g/mol
Exact mass
164.0586 Da
Melting point
275–277 °C
logP
0.27Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
27074-03-9
SMILES
Cc1cc(O)n(C)c(=O)c1C#N
InChIKey
RTTKVNNZRGYCTK-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3,11H,1-2H3

Weigh it out

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Names and synonyms

9 names
  • 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
  • Nicotinonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
  • 1,4-Dimethyl-3-cyano-6-hydroxypyridone
  • 1,4-Dimethyl-3-cyano-6-hydroxy-2-pyridone
  • 3-Cyano-6-hydroxy-1,4-dimethyl-2-pyridone
  • 3-Cyano-1,4-dimethyl-6-hydroxy-2-pyridone
  • 2-Hydroxy-1,4-dimethyl-5-cyano-6-pyridinone
  • 1,4-Dimethyl-6-hydroxy-3-cyano-2-pyridone
  • N-Methyl-3-cyano-6-hydroxy-4-methyl-2-pyridone

Work with 1,2-Dihydro-6-hydroxy-1,4-dimethyl-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

1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile28141-13-163 % similar 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-958 % similar 1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile68612-94-252 % similar 4-Hydroxy-2,6-dimethylbenzonitrile58537-99-846 % similar 2,4,6-Trimethylbenzonitrile2571-52-041 % similar 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-040 % similar 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-840 % similar 3-Carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-pyridone29097-12-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Benzenedicarboxamide1740-57-4 6-Nitroindoline19727-83-4 1,3-Dihydro-5-methoxy-2H-benzimidazol-2-one2080-75-3 Terephthalamide3010-82-0 5-Nitroindoline32692-19-6 Phthalamide88-96-0

Elsewhere

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