chempirical

5-Fluoro-1H-indole-3-carboxylic acid

C9H6FNO2CAS 23077-43-2179.15 g/mol

Open in Covalent MOL file
OHONHF
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H6FNO2
Molar mass
179.15 g/mol
Exact mass
179.0383 Da
Melting point
234–236 °C (decomposes)
logP
2.01Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
23077-43-2
SMILES
O=C(O)c1c[nH]c2ccc(F)cc12
InChIKey
SDZBAXLIHRBNOV-UHFFFAOYSA-N
InChI
InChI=1S/C9H6FNO2/c10-5-1-2-8-6(3-5)7(4-11-8)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

3 names
  • 1H-Indole-3-carboxylic acid, 5-fluoro-
  • Indole-3-carboxylic acid, 5-fluoro-
  • 5-Fluoroindole-3-carboxylic acid

Work with 5-Fluoro-1H-indole-3-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-Bromo-1H-indole-3-carboxylic acid10406-06-166 % similar 5-Chloroindole-3-carboxylic acid10406-05-064 % similar 5-Methoxy-1H-indole-3-carboxylic acid10242-01-061 % similar Indole-3-carboxylic acid771-50-659 % similar 5-Fluoroindole-3-acetic acid443-73-256 % similar 5-Fluoro-1H-indazole-3-carboxylic acid1077-96-955 % similar 3-(5-Azaindole)carboxylic acid119248-43-054 % similar 2,4-Difluorobenzoic acid1583-58-053 % similar

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

Same formula

4-Fluoro-1H-indole-2-carboxylic acid399-68-8 5-Fluoroindole-2-carboxylic acid399-76-8

Elsewhere

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