chempirical

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

C7H6N2OCAS 4241-27-4134.14 g/mol

Open in Covalent MOL file
NOHN
NitrilePhenol

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

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)

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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

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

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 6-Methyl-2-pyridinecarbonitrile1620-75-344 % similar 2-Hydroxy-6-methylnicotinic acid38116-61-942 % similar 5-Cyanouracil4425-56-342 % similar 2,4-Dimethylbenzonitrile21789-36-640 % similar

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

Same formula

1H-Indazol-5-ol15579-15-4 1H-Indazol-6-ol23244-88-4 1,3-Dihydro-2H-pyrrolo[3,2-B]pyridin-2-one32501-05-6 2-Benzoxazolamine4570-41-6 1,3-Dihydro-2H-pyrrolo[2,3-B]pyridin-2-one5654-97-7 2-Benzimidazolinone615-16-7 2-Methoxy-3-pyridinecarbonitrile7254-34-4 Indazolinone7364-25-2

Elsewhere

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