5,6-Difluoroindole-2-carboxylic acid

C₉H₅F₂NO₂CAS 169674-35-5197.14 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₅F₂NO₂
Molar mass: 197.14 g/mol
Exact mass: 197.0288 Da
logP: 2.14Crippen estimate
Polar surface area: 53.1 Å²
H-bond donors / acceptors: 2 / 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

169674-35-5

SMILES

C1=C2C=C(NC2=CC(=C1F)F)C(=O)O

InChIKey

XBVUJSXNSDFADV-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F2NO2/c10-5-1-4-2-8(9(13)14)12-7(4)3-6(5)11/h1-3,12H,(H,13,14)

Weigh it out

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

Names and synonyms

1 names

5,6-Difluoro-1H-indole-2-carboxylic acid

Work with 5,6-Difluoroindole-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

6-Fluoroindole-2-carboxylic acid3093-97-862 % similar 5-Fluoroindole-2-carboxylic acid399-76-862 % similar Indole-2,5-dicarboxylic acid117140-77-957 % similar 4-Fluoro-1H-indole-2-carboxylic acid399-68-856 % similar 5,6-Dimethoxyindole-2-carboxylic acid88210-96-256 % similar Indole-2-carboxylic acid1477-50-556 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-155 % similar 5-Methylindole-2-carboxylic acid10241-97-154 % similar

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

Same formula

5,7-Difluoroindole-2-carboxylic acid186432-20-2 4,6-Difluoro-1H-indole-2-carboxylic acid247564-66-5 2,2-Difluoro-1,3-benzodioxole-5-acetonitrile68119-31-3

Elsewhere

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