4-Fluoro-1H-indole-2-carboxylic acid

C₉H₆FNO₂CAS 399-68-8179.15 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₆FNO₂
Molar mass: 179.15 g/mol
Exact mass: 179.0383 Da
Melting point: 219–220 °C (decomposes)
logP: 2.01Crippen estimate
Polar surface area: 53.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Identifiers

CAS number

399-68-8

SMILES

O=C(O)c1cc2c(F)cccc2[nH]1

InChIKey

KBWWCYDFHITBFO-UHFFFAOYSA-N

InChI

InChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(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

2 names

1H-Indole-2-carboxylic acid, 4-fluoro-
Indole-2-carboxylic acid, 4-fluoro-

Work with 4-Fluoro-1H-indole-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

4-Methyl-1H-indole-2-carboxylic acid18474-57-264 % similar 4,6-Difluoro-1H-indole-2-carboxylic acid247564-66-564 % similar 4-Methoxy-1H-indole-2-carboxylic acid103260-65-760 % similar Kynurenic acid492-27-357 % similar Indole-2-carboxylic acid1477-50-555 % similar 2,6-Difluorobenzoic acid385-00-250 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-649 % similar 2-Chloro-6-fluorobenzoic acid434-75-348 % similar

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

Same formula

5-Fluoro-1H-indole-3-carboxylic acid23077-43-2 5-Fluoroindole-2-carboxylic acid399-76-8

Elsewhere

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