chempirical

5-Chloroindole-3-carboxaldehyde

C9H6ClNOCAS 827-01-0179.60 g/mol

Open in Covalent MOL file
ClNHO
AldehydeAryl halide

Properties

Molecular formula
C9H6ClNO
Molar mass
179.60 g/mol
Exact mass
179.0138 Da
logP
2.63Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
827-01-0
SMILES
C1=CC2=C(C=C1Cl)C(=CN2)C=O
InChIKey
YXEXOIGXNYITQH-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H

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Names and synonyms

1 names
  • 5-Chloro-1H-indole-3-carbaldehyde

Work with 5-Chloroindole-3-carboxaldehyde

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-Fluoro-1H-indole-3-carbaldehyde2338-71-861 % similar 5-Methylindole-3-carboxaldehyde52562-50-261 % similar 5-Bromoindole-3-carboxaldehyde877-03-261 % similar 5-Methoxyindole-3-carbaldehyde10601-19-158 % similar 3-Formyl-1H-indole-5-carbonitrile17380-18-656 % similar Indole-3-carbaldehyde487-89-856 % similar 5-Ethoxy-1H-indole-3-carbaldehyde169789-47-354 % similar 5-Nitro-1H-indole-3-carbaldehyde6625-96-354 % similar

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

Same formula

5-Chloro-8-hydroxyquinoline130-16-5 3-(3-Chlorophenyl)-3-oxopropanenitrile21667-62-9 8-Chloroquinolin-2(1H)-one23981-25-1 2-Chloro-β-oxobenzenepropanenitrile40018-25-5 4-Chlorobenzoylacetonitrile4640-66-8 2-Chloro-1H-indole-3-carbaldehyde5059-30-3 6-Chloroindole-3-carboxaldehyde703-82-2 7-Chloro-4-hydroxyquinoline86-99-7

Elsewhere

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