2-(Trifluoromethyl)-3-quinolinecarboxylic acid

C₁₁H₆F₃NO₂CAS 587886-26-8241.17 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₆F₃NO₂
Molar mass: 241.17 g/mol
Exact mass: 241.0351 Da
Melting point: 207–209 °C
logP: 2.95Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

587886-26-8

SMILES

O=C(O)c1cc2ccccc2nc1C(F)(F)F

InChIKey

VIUDHZOBRHLGGI-UHFFFAOYSA-N

InChI

InChI=1S/C11H6F3NO2/c12-11(13,14)9-7(10(16)17)5-6-3-1-2-4-8(6)15-9/h1-5H,(H,16,17)

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Names and synonyms

1 names

3-Quinolinecarboxylic acid, 2-(trifluoromethyl)-

Work with 2-(Trifluoromethyl)-3-quinolinecarboxylic 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

2-(Trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid241154-08-566 % similar 2,3-Quinolinedicarboxylic acid643-38-963 % similar 2-Chloro-3-quinolinecarboxylic acid73776-25-760 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-851 % similar 2-(Trifluoromethyl)benzoic acid433-97-649 % similar Quinaldic acid93-10-748 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-246 % similar Bicinchoninic acid1245-13-245 % similar

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

Same formula

4-(Trifluoromethyl)-2-quinolinecarboxylic acid588702-67-4

Elsewhere

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