5-(Trifluoromethyl)pyridine-2-carboxylic acid

C7H4F3NO2CAS 80194-69-0191.11 g/mol

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Alkyl halideCarboxylic acid

Properties

Molecular formula
C7H4F3NO2
Molar mass
191.11 g/mol
Exact mass
191.0194 Da
Melting point
134–135 °C
logP
1.80Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
80194-69-0
SMILES
O=C(O)c1ccc(C(F)(F)F)cn1
InChIKey
NJHGVAYLDHROPT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)4-1-2-5(6(12)13)11-3-4/h1-3H,(H,12,13)

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Names and synonyms

3 names
  • 2-Pyridinecarboxylic acid, 5-(trifluoromethyl)-
  • 5-(Trifluoromethyl)-2-pyridinecarboxylic acid
  • 5-Trifluoromethylpicolinic acid

Work with 5-(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

4-(Trifluoromethyl)pyridine-2-carboxylic acid588702-62-959 % similar 5-Fluoropyridine-2-carboxylic acid107504-08-557 % similar 2,5-Pyridinedicarboxylic acid100-26-556 % similar 4-(Trifluoromethyl)benzoic acid455-24-356 % similar 5-Hydroxypyridine-2-carboxylic acid15069-92-854 % similar 5-Aminopicolinic acid24242-20-453 % similar 5-Bromopyridine-2-carboxylic acid30766-11-153 % similar 5-Chloropyridine-2-carboxylic acid86873-60-153 % 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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