chempirical

5-Fluoroindole-2-carboxylic acid

C9H6FNO2CAS 399-76-8179.15 g/mol

Open in Covalent MOL file
OOHFNH
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H6FNO2
Molar mass
179.15 g/mol
Exact mass
179.0383 Da
Melting point
248–249 °C (decomposes)
logP
2.01Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
399-76-8
SMILES
O=C(O)c1cc2cc(F)ccc2[nH]1
InChIKey
WTXBRZCVLDTWLP-UHFFFAOYSA-N
InChI
InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole-2-carboxylic acid, 5-fluoro-
  • Indole-2-carboxylic acid, 5-fluoro-
  • 5-Fluoro-1H-indole-2-carboxylic acid
  • 2-Carboxy-5-fluoroindole

Work with 5-Fluoroindole-2-carboxylic acid

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-Chloro-1H-indole-2-carboxylic acid10517-21-268 % similar Indole-2,5-dicarboxylic acid117140-77-967 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-165 % similar 5-Methylindole-2-carboxylic acid10241-97-163 % similar Indole-2-carboxylic acid1477-50-561 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-159 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-755 % similar 4,6-Difluoro-1H-indole-2-carboxylic acid247564-66-554 % similar

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

Same formula

5-Fluoro-1H-indole-3-carboxylic acid23077-43-2 4-Fluoro-1H-indole-2-carboxylic acid399-68-8

Elsewhere

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