5-Fluoro-1H-indole-3-carbaldehyde

C9H6FNOCAS 2338-71-8163.15 g/mol

Open in Covalent MOL file
FNHO
AldehydeAryl halide

Properties

Molecular formula
C9H6FNO
Molar mass
163.15 g/mol
Exact mass
163.0433 Da
logP
2.12Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2338-71-8
SMILES
C1=CC2=C(C=C1F)C(=CN2)C=O
InChIKey
YUAJKGBLPVLADK-UHFFFAOYSA-N
InChI
InChI=1S/C9H6FNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H

Weigh it out

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Names and synonyms

1 names
  • 5-Fluoroindole-3-carboxaldehyde

Work with 5-Fluoro-1H-indole-3-carbaldehyde

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-Methylindole-3-carboxaldehyde52562-50-261 % similar 5-Chloroindole-3-carboxaldehyde827-01-061 % 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-(4-Fluorophenyl)oxazole128101-19-9 3-(3-Fluorophenyl)-3-oxopropanenitrile21667-61-8 6-Fluoroindole-3-carboxaldehyde2795-41-7 3-(2-Fluorophenyl)-3-oxopropionitrile31915-26-1 5-Fluoro-8-quinolinol387-97-3 6-Fluoroquinolin-4-ol391-78-6 4-Fluoro-β-oxobenzenepropanenitrile4640-67-9 8-Fluoro-4-hydroxyquinoline63010-71-9

Elsewhere

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