chempirical

Indole-5-carbonitrile

C9H6N2CAS 15861-24-2142.16 g/mol

Open in Covalent MOL file
NNH
Nitrile

Properties

Molecular formula
C9H6N2
Molar mass
142.16 g/mol
Exact mass
142.0531 Da
Melting point
106–108 °C
logP
2.04Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
15861-24-2
SMILES
N#Cc1ccc2[nH]ccc2c1
InChIKey
YHYLDEVWYOFIJK-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H

Weigh it out

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

Names and synonyms

3 names
  • 1H-Indole-5-carbonitrile
  • 5-Cyanoindole
  • 5-Cyano-1H-indole

Work with Indole-5-carbonitrile

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

5-Hydroxyindole1953-54-452 % similar 2-Naphthalenecarbonitrile613-46-750 % similar 5-Methylindole614-96-048 % similar Indole-5-methanol1075-25-847 % similar 5-Bromoindole10075-50-047 % similar 5-Chloroindole17422-32-147 % similar 5-Fluoroindole399-52-047 % similar 5-Aminoindole5192-03-047 % similar

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

Same formula

1H-Indole-6-carbonitrile15861-36-6 2-Cyanobenzeneacetonitrile3759-28-2 4-Cyanophenylacetonitrile876-31-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook