4,6-Difluoro-1H-indole-2-carboxylic acid

C₉H₅F₂NO₂CAS 247564-66-5197.14 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

Identifiers

CAS number

247564-66-5

SMILES

O=C(O)c1cc2c(F)cc(F)cc2[nH]1

InChIKey

OCHGGXDZJGAUEU-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1H-Indole-2-carboxylic acid, 4,6-difluoro-

Work with 4,6-Difluoro-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-Fluoro-1H-indole-2-carboxylic acid399-68-864 % similar 5-Fluoroindole-2-carboxylic acid399-76-854 % similar 2,4,6-Trifluorobenzoic acid28314-80-953 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-649 % similar 4-Methyl-1H-indole-2-carboxylic acid18474-57-249 % similar 3,5-Difluoro-2-methylbenzoic acid1003710-06-245 % similar 2-Amino-4,6-difluorobenzoic acid126674-77-945 % similar 2-Amino-3,5-difluorobenzoic acid126674-78-045 % similar

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

Same formula

2,2-Difluoro-1,3-benzodioxole-5-acetonitrile68119-31-3

Elsewhere

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