chempirical

2-(Trifluoromethyl)nicotinic acid

C7H4F3NO2CAS 131747-43-8191.11 g/mol

Open in Covalent MOL file
NFFFOHO
Alkyl halideCarboxylic acid

Properties

Molecular formula
C7H4F3NO2
Molar mass
191.11 g/mol
Exact mass
191.0194 Da
logP
1.80Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
131747-43-8
SMILES
C1=CC(=C(N=C1)C(F)(F)F)C(=O)O
InChIKey
BFROETNLEIAWNO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13)

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Names and synonyms

1 names
  • 2-(Trifluoromethyl)pyridine-3-carboxylic acid

Work with 2-(Trifluoromethyl)nicotinic 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 acid241154-08-562 % similar 2-Fluoronicotinic acid393-55-558 % similar Quinolinic acid89-00-957 % similar 2-(Trifluoromethyl)benzoic acid433-97-656 % similar 2-Hydroxynicotinic acid609-71-256 % similar 2-Chloronicotinic acid2942-59-854 % similar 2-Methylnicotinic acid3222-56-854 % similar 2-Mercaptonicotinic acid38521-46-954 % 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 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-7 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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