6-Trifluoromethyl-2-pyridinecarboxylic acid

C₇H₄F₃NO₂CAS 131747-42-7191.11 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₇H₄F₃NO₂
Molar mass: 191.11 g/mol
Exact mass: 191.0194 Da
Melting point: 156–157 °C
logP: 1.80Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

131747-42-7

SMILES

O=C(O)c1cccc(C(F)(F)F)n1

InChIKey

OKBHXGBLXDNJJD-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-1-2-4(11-5)6(12)13/h1-3H,(H,12,13)

Weigh it out

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

Names and synonyms

4 names

2-Pyridinecarboxylic acid, 6-(trifluoromethyl)-
6-(Trifluoromethyl)-2-pyridinecarboxylic acid
6-(Trifluoromethyl)picolinic acid
2-Trifluoromethyl-6-pyridinecarboxylic acid

Work with 6-Trifluoromethyl-2-pyridinecarboxylic 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

Dipicolinic acid499-83-263 % similar 6-Hydroxypicolinic acid19621-92-254 % similar 6-Chloropicolinic acid4684-94-054 % similar 6-Methylpicolinic acid934-60-153 % similar 2,6-Bis(trifluoromethyl)benzoic acid24821-22-550 % similar 2-Fluoro-6-(trifluoromethyl)pyridine94239-04-050 % similar 4-(Trifluoromethyl)-2-quinolinecarboxylic acid588702-67-449 % similar 6-Methoxypicolinic acid26893-73-249 % similar

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

Same formula

3-Amino-2,4,5-trifluorobenzoic acid119385-80-7 5-(Trifluoromethyl)nicotinic acid131747-40-5 2-(Trifluoromethyl)isonicotinic acid131747-41-6 2-(Trifluoromethyl)nicotinic acid131747-43-8 3-Amino-2,5,6-trifluorobenzoic acid133622-65-8 6-Trifluoromethylnicotinic acid231291-22-8 2-Nitrobenzotrifluoride384-22-5 4-Nitrobenzotrifluoride402-54-0

Elsewhere

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