chempirical

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

C6H4N2OCAS 94805-52-4120.11 g/mol

Open in Covalent MOL file
NONH
Nitrile

Properties

Molecular formula
C6H4N2O
Molar mass
120.11 g/mol
Exact mass
120.0324 Da
Melting point
252–253 °C
logP
0.25Crippen estimate
Polar surface area
56.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
94805-52-4
SMILES
N#Cc1ccc(=O)[nH]c1
InChIKey
CCQUUHVUQQFTGV-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)

Weigh it out

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

Names and synonyms

8 names
  • 3-Pyridinecarbonitrile, 1,6-dihydro-6-oxo-
  • 5-Cyano-2-pyridone
  • 5-Cyano-2-pyridinol
  • 3-Cyano-6-hydroxypyridine
  • 6-Oxo-1,6-dihydro-3-pyridinecarbonitrile
  • 6-Hydroxypyridine-3-carbonitrile
  • 6-Hydroxynicotinonitrile
  • 2-Hydroxy-5-cyanopyridine

Work with 1,6-Dihydro-6-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

2-Amino-5-cyanopyridine4214-73-753 % similar 1,4-Dicyanobenzene623-26-746 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-641 % similar 5-Amino-2-pyridinol hydrochloride, 95117865-72-239 % similar 4-Cyanophenyl isocyanate40465-45-039 % similar 4-Cyanobenzaldehyde105-07-738 % similar 3-Formyl-1H-indole-5-carbonitrile17380-18-638 % similar Indole-5-carbonitrile15861-24-237 % similar

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

Same formula

4-Cyanopyridine N-oxide14906-59-3 3-Cyanopyridine 1-oxide14906-64-0 3-Cyano-2-pyridone20577-27-9 2,1,3-Benzoxadiazole273-09-6 3-Hydroxy-2-pyridinecarbonitrile932-35-4

Elsewhere

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