chempirical

4-Cyanopyridine N-oxide

C6H4N2OCAS 14906-59-3120.11 g/mol

Open in Covalent MOL file
NN+O−
Nitrile

Properties

Molecular formula
C6H4N2O
Molar mass
120.11 g/mol
Exact mass
120.0324 Da
Melting point
223–225 °C
logP
0.19Crippen estimate
Polar surface area
50.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
14906-59-3
SMILES
N#Cc1cc[n+]([O-])cc1
InChIKey
QNCSFBSIWVBTHE-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O/c7-5-6-1-3-8(9)4-2-6/h1-4H

Weigh it out

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

Names and synonyms

7 names
  • 4-Pyridinecarbonitrile, 1-oxide
  • Isonicotinonitrile, 1-oxide
  • 4-Cyanopyridine 1-oxide
  • 4-Cyanopyridine oxide
  • NSC 132883
  • 1-Oxopyridine-4-carbonitrile
  • 1-Oxidopyridin-1-ium-4-carbonitrile

Work with 4-Cyanopyridine N-oxide

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

1,4-Dicyanobenzene623-26-752 % similar Benzonitrile100-47-048 % similar 4-Phenylpyridine 1-oxide1131-61-946 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-646 % similar 4-Cyanopyridine100-48-142 % similar 4-Methylpyridine N-oxide1003-67-442 % similar 4-Chloropyridine N-oxide1121-76-242 % similar 4-Methylbenzonitrile104-85-841 % similar

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

Same formula

3-Cyanopyridine 1-oxide14906-64-0 3-Cyano-2-pyridone20577-27-9 2,1,3-Benzoxadiazole273-09-6 3-Hydroxy-2-pyridinecarbonitrile932-35-4 1,6-Dihydro-6-oxo-3-pyridinecarbonitrile94805-52-4

Elsewhere

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