3-Formyl-1H-indole-5-carbonitrile

C₁₀H₆N₂OCAS 17380-18-6170.17 g/mol

Open in Covalent MOL file

Aldehyde Nitrile

Properties

Molecular formula: C₁₀H₆N₂O
Molar mass: 170.17 g/mol
Exact mass: 170.0480 Da
Melting point: 256–258 °C
logP: 1.85Crippen estimate
Polar surface area: 56.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

17380-18-6

SMILES

N#Cc1ccc2[nH]cc(C=O)c2c1

InChIKey

NVBCFOQYDFKXJJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H6N2O/c11-4-7-1-2-10-9(3-7)8(6-13)5-12-10/h1-3,5-6,12H

Weigh it out

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

Names and synonyms

4 names

1H-Indole-5-carbonitrile, 3-formyl-
Indole-5-carbonitrile, 3-formyl-
3-Formyl-5-cyano-1H-indole
5-Cyanoindole-3-carboxaldehyde

Work with 3-Formyl-1H-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-Bromoindole-3-carboxaldehyde877-03-256 % similar 5-Methoxyindole-3-carboxaldehyde10601-19-154 % similar 3-Fluoro-4-formylbenzonitrile105942-10-750 % similar 5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-650 % similar 4-Formyl-3-methoxybenzonitrile21962-45-847 % similar 4-Cyanobenzaldehyde105-07-743 % similar Indole-5-carbonitrile15861-24-243 % similar 3-Cyanobenzaldehyde24964-64-543 % similar

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

Same formula

4-Hydroxybenzylidenemalononitrile3785-90-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook