6-Trifluoromethylnicotinic acid

C7H4F3NO2CAS 231291-22-8191.11 g/mol

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OHOFFFN
Alkyl halideCarboxylic acid

Properties

Molecular formula
C7H4F3NO2
Molar mass
191.11 g/mol
Exact mass
191.0194 Da
Melting point
188–189 °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 49 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
231291-22-8
SMILES
O=C(O)c1ccc(C(F)(F)F)nc1
InChIKey
JNYLMODTPLSLIF-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-11-5)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
  • 3-Pyridinecarboxylic acid, 6-(trifluoromethyl)-
  • 6-(Trifluoromethyl)-3-pyridinecarboxylic acid
  • 2-Trifluoromethyl-5-pyridinecarboxylic acid
  • 6-(Trifluoromethyl)nicotinic acid

Work with 6-Trifluoromethylnicotinic 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

1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone358780-14-063 % similar 2-(Trifluoromethyl)pyrimidine-5-carboxylic acid306960-77-062 % similar 6-(Trifluoromethyl)nicotinoyl chloride358780-13-961 % similar 6-(Trifluoromethyl)nicotinamide386715-35-161 % similar 6-Fluoronicotinic acid403-45-259 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-858 % similar 6,6'-Dithiodinicotinic acid15658-35-257 % similar Methyl 6-(trifluoromethyl)nicotinate221313-10-656 % 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 2-Nitro-alpha,alpha,alpha-trifluorotoluene384-22-5

Elsewhere

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