chempirical

2-Phenoxy-3-pyridinecarbonitrile

C12H8N2OCAS 14178-15-5196.21 g/mol

Open in Covalent MOL file
NNO
EtherNitrile

Properties

Molecular formula
C12H8N2O
Molar mass
196.21 g/mol
Exact mass
196.0637 Da
Melting point
109–110 °C
logP
2.75Crippen estimate
Polar surface area
45.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
14178-15-5
SMILES
N#Cc1cccnc1Oc1ccccc1
InChIKey
KMQFYNLYTMIJPI-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h1-8H

Weigh it out

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

Names and synonyms

4 names
  • 3-Pyridinecarbonitrile, 2-phenoxy-
  • Nicotinonitrile, 2-phenoxy-
  • 2-Phenoxynicotinonitrile
  • 2-Phenoxy-3-cyanopyridine

Work with 2-Phenoxy-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-Methoxy-3-pyridinecarbonitrile7254-34-462 % similar 2-(2,2,2-Trifluoroethoxy)-3-pyridinecarbonitrile175277-89-153 % similar 3-Cyano-2-pyridone20577-27-949 % similar 2-Fluoro-3-pyridinecarbonitrile3939-13-749 % similar 2-Chloro-3-cyanopyridine6602-54-649 % similar 2-Phenoxynicotinic acid35620-71-446 % similar Phthalonitrile91-15-641 % similar 3-Hydroxy-2-pyridinecarbonitrile932-35-441 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook