chempirical

3-Cyanopyridine 1-oxide

C6H4N2OCAS 14906-64-0120.11 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
175–176 °C
logP
0.19Crippen estimate
Polar surface area
50.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
14906-64-0
SMILES
N#Cc1ccc[n+]([O-])c1
InChIKey
WOOVSQCALYYUDO-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O/c7-4-6-2-1-3-8(9)5-6/h1-3,5H

Weigh it out

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

Names and synonyms

7 names
  • 3-Pyridinecarbonitrile, 1-oxide
  • Nicotinonitrile, 1-oxide
  • 3-Cyanopyridine N-oxide
  • Nicotinonitrile N-oxide
  • NSC 170850
  • 1-Oxidopyridin-1-ium-3-carbonitrile
  • 3-Cyanopyridin-1-ium-1-olate

Work with 3-Cyanopyridine 1-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

Benzonitrile100-47-046 % similar 3-Methylpyridine N-oxide1003-73-245 % similar 3-Bromopyridine oxide2402-97-345 % similar 3-Hydroxypyridine N-oxide6602-28-445 % similar Isophthalonitrile626-17-543 % similar Isoquinoline N-oxide1532-72-542 % similar 1,4-Dicyanobenzene623-26-738 % similar Nicotinamide N-oxide1986-81-838 % similar

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

Same formula

4-Cyanopyridine N-oxide14906-59-3 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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