chempirical

5-(Trifluoromethoxy)indole-2-carboxylic acid

C10H6F3NO3CAS 175203-84-6245.16 g/mol

Open in Covalent MOL file
OFFFNHOOH
Alkyl halideCarboxylic acidEther

Properties

Molecular formula
C10H6F3NO3
Molar mass
245.16 g/mol
Exact mass
245.0300 Da
logP
2.76Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

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
175203-84-6
SMILES
C1=CC2=C(C=C1OC(F)(F)F)C=C(N2)C(=O)O
InChIKey
DJJJSHFPEISHFN-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F3NO3/c11-10(12,13)17-6-1-2-7-5(3-6)4-8(14-7)9(15)16/h1-4,14H,(H,15,16)

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Names and synonyms

1 names
  • 5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid

Work with 5-(Trifluoromethoxy)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

5-Methoxy-1H-indole-2-carboxylic acid4382-54-165 % similar 5-Trifluoromethyl-1H-indole-2-carboxylic acid496946-78-261 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-461 % similar 5-Fluoroindole-2-carboxylic acid399-76-858 % similar Indole-2,5-dicarboxylic acid117140-77-957 % similar 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid6640-09-157 % similar 4-Hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylic acid175203-86-856 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-156 % similar

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

Elsewhere

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