chempirical

3-(Trifluoromethyl)pyridine-2-carboxylic acid

C7H4F3NO2CAS 87407-12-3191.11 g/mol

Open in Covalent MOL file
NOOHFFF
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

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
87407-12-3
SMILES
C1=CC(=C(N=C1)C(=O)O)C(F)(F)F
InChIKey
DMWLBOPLZYJGPT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)4-2-1-3-11-5(4)6(12)13/h1-3H,(H,12,13)

Weigh it out

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Work with 3-(Trifluoromethyl)pyridine-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

3-Fluoropyridine-2-carboxylic acid152126-31-358 % similar 2,6-Bis(trifluoromethyl)benzoic acid24821-22-557 % similar Quinolinic acid339155-13-457 % similar Quinolinic acid89-00-957 % similar 3-Bromopyridine-2-carboxylic acid30683-23-956 % similar 2-(Trifluoromethyl)benzoic acid433-97-656 % similar 3-Hydroxypicolinic acid874-24-856 % similar 3-Aminopicolinic acid1462-86-854 % 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 2-(Trifluoromethyl)nicotinic acid131747-43-8 3-Amino-2,5,6-trifluorobenzoic acid133622-65-8 4-(Trifluoromethyl)nicotinic acid158063-66-2 6-Trifluoromethylnicotinic acid231291-22-8

Elsewhere

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