1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile

C9H10N2O2CAS 28141-13-1178.19 g/mol

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NHONO
NitrilePhenol

Properties

Molecular formula
C9H10N2O2
Molar mass
178.19 g/mol
Exact mass
178.0742 Da
logP
0.75Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
28141-13-1
SMILES
CCn1c(O)cc(C)c(C#N)c1=O
InChIKey
ZSUMNJYQUKCOBV-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2O2/c1-3-11-8(12)4-6(2)7(5-10)9(11)13/h4,12H,3H2,1-2H3

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Names and synonyms

9 names
  • 3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
  • 1-Ethyl-3-cyano-4-methyl-6-hydroxy-2-pyridone
  • 3-Cyano-1-ethyl-6-hydroxy-4-methylpyrid-2-one
  • 1-Ethyl-2-hydroxy-4-methyl-5-cyano-6-pyridone
  • 3-Cyano-N-ethyl-6-hydroxy-4-methyl-2-pyridone
  • 1-Ethyl-2-hydroxy-4-methyl-5-cyano-6-pyridinone
  • 3-Cyano-N-ethyl-6-hydroxy-4-methylpyridone
  • 1-Ethyl-3-cyano-6-hydroxy-4-methyl-2-pyridone
  • 1-Ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Work with 1-Ethyl-1,2-dihydro-6-hydroxy-4-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

1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-972 % similar 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile27074-03-963 % similar 1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile68612-94-261 % similar 3-Carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-pyridone29097-12-953 % similar 4-Hydroxy-2,6-dimethylbenzonitrile58537-99-843 % similar 2,4,6-Trimethylbenzonitrile2571-52-038 % similar 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-037 % similar 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2-Dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one20348-21-4 2-Amino-4,5-dimethoxybenzonitrile26961-27-3 7-Nitro-1,2,3,4-tetrahydroquinoline30450-62-5 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-5 5,6-Dimethoxybenzimidazole72721-02-9

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