5-(Trifluoromethoxy)indole-2-carboxylic acid

C₁₀H₆F₃NO₃CAS 175203-84-6245.16 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₆F₃NO₃
Molar mass: 245.16 g/mol
Exact mass: 245.0300 Da
logP: 2.76Crippen estimate
Polar surface area: 62.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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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