chempirical

2-Quinolinecarbonitrile

C10H6N2CAS 1436-43-7154.17 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C10H6N2
Molar mass
154.17 g/mol
Exact mass
154.0531 Da
Melting point
95 °C
Boiling point
160 °C
logP
2.11Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1436-43-7
SMILES
N#Cc1ccc2ccccc2n1
InChIKey
WDXARTMCIRVMAE-UHFFFAOYSA-N
InChI
InChI=1S/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H

Weigh it out

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

Names and synonyms

3 names
  • Quinaldonitrile
  • 2-Cyanoquinoline
  • Quinoline-2-nitrile

Work with 2-Quinolinecarbonitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Pyridinedicarbonitrile2893-33-654 % similar 2,2'-Biquinoline119-91-552 % similar 1H-Pyrrolo[2,3-B]pyridine-6-carbonitrile189882-33-548 % similar 2-Quinolone59-31-447 % similar 2-Chloroquinoline612-62-447 % similar Quinaldine91-63-447 % similar 6-Bromopyridine-2-carbonitrile122918-25-645 % similar 2-Hydrazinoquinoline15793-77-845 % similar

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

Same formula

1-Isoquinolinecarbonitrile1198-30-7 Benzylidenemalononitrile2700-22-3 3-Quinolinecarbonitrile34846-64-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook