chempirical

2-(Trifluoromethyl)isonicotinic acid

C7H4F3NO2CAS 131747-41-6191.11 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

Identifiers

CAS number
131747-41-6
SMILES
C1=CN=C(C=C1C(=O)O)C(F)(F)F
InChIKey
BZFGKBQHQJVAHS-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h1-3H,(H,12,13)

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

Names and synonyms

1 names
  • 2-(Trifluoromethyl)pyridine-4-carboxylic acid

Work with 2-(Trifluoromethyl)isonicotinic 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-Fluoroisonicotinic acid402-65-360 % similar Lutidinic acid499-80-957 % similar 2-Chloroisonicotinic acid6313-54-854 % similar 3-(Trifluoromethyl)benzoic acid454-92-253 % similar 2-Methoxy-4-pyridinecarboxylic acid105596-63-250 % similar 3-Fluoro-4-(trifluoromethyl)benzoic acid115754-21-750 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-650 % similar 4-(Trifluoromethyl)benzoic acid455-24-350 % 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 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-7 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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