chempirical

7-Cyanoindole

C9H6N2CAS 96631-87-7142.16 g/mol

Open in Covalent MOL file
NHN
Nitrile

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
96631-87-7
SMILES
C1=CC2=C(C(=C1)C#N)NC=C2
InChIKey
NTUHBYLZRBVHRS-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,11H

Weigh it out

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Names and synonyms

1 names
  • 1H-Indole-7-carbonitrile

Work with 7-Cyanoindole

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-Naphthalenecarbonitrile86-53-350 % similar 7-Bromoindole51417-51-748 % similar 7-Chloroindole53924-05-348 % similar 7-Hydroxyindole2380-84-947 % similar 7-Fluoro-1H-indole387-44-047 % similar 7-Aminoindole5192-04-147 % similar 7-Methylindole933-67-547 % similar Phthalonitrile91-15-646 % similar

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

Same formula

Indole-5-carbonitrile15861-24-2 1H-Indole-6-carbonitrile15861-36-6 4-Cyanoindole16136-52-0 2-Cyanobenzeneacetonitrile3759-28-2 5-Methylisophthalonitrile39718-07-5 3-Cyanoindole5457-28-3 4-Methylphthalonitrile63089-50-9 4-Cyanophenylacetonitrile876-31-3

Elsewhere

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