3-Formyl-1H-indole-6-carbonitrile

C₁₀H₆N₂OCAS 83783-33-9170.17 g/mol

Open in Covalent MOL file

Aldehyde Nitrile

Properties

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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

83783-33-9

SMILES

C1=CC2=C(C=C1C#N)NC=C2C=O

InChIKey

KCNWLZZKKCXGOC-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3-Formyl-1H-indole-6-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

6-Bromoindole-3-carbaldehyde17826-04-956 % similar 6-Fluoroindole-3-carboxaldehyde2795-41-756 % similar 6-Methylindole-3-carboxaldehyde4771-49-756 % similar 6-Chloroindole-3-carboxaldehyde703-82-256 % similar Indole-3-carbaldehyde487-89-856 % similar 6-Methoxy-1H-indole-3-carbaldehyde70555-46-352 % similar 3-Fluoro-4-formylbenzonitrile105942-10-750 % similar 5-Cyano-2-fluorobenzaldehyde146137-79-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Formyl-1H-indole-5-carbonitrile17380-18-6 4-Hydroxybenzylidenemalononitrile3785-90-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook