chempirical

2-Methyl-6-(trifluoromethyl)nicotinic acid

C8H6F3NO2CAS 261635-93-2205.14 g/mol

Open in Covalent MOL file
NFFFOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C8H6F3NO2
Molar mass
205.14 g/mol
Exact mass
205.0351 Da
logP
2.11Crippen 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
261635-93-2
SMILES
CC1=C(C=CC(=N1)C(F)(F)F)C(=O)O
InChIKey
ODWJFUQRQUCRJZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3NO2/c1-4-5(7(13)14)2-3-6(12-4)8(9,10)11/h2-3H,1H3,(H,13,14)

Weigh it out

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Work with 2-Methyl-6-(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-Chloro-6-trifluoromethylnicotinic acid280566-45-264 % similar 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-753 % similar 4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-050 % similar 6-Trifluoromethylnicotinic acid231291-22-849 % similar 2-Methyl-6-(trifluoromethyl)-3-pyridinamine383907-17-349 % similar 2-(Trifluoromethyl)benzoic acid433-97-649 % similar 4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid144059-86-948 % similar 4-(Trifluoromethyl)nicotinic acid158063-66-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Amino-4-(trifluoromethyl)benzoic acid125483-00-3 2-(Trifluoromethoxy)benzamide127979-74-2 4-(Trifluoromethoxy)benzaldoxime150162-39-3 Methyl 4-(trifluoromethyl)nicotinate175204-82-7 2-Methyl-4-nitrobenzotrifluoride1960-52-7 Methyl 6-(trifluoromethyl)nicotinate221313-10-6 2-Amino-3-(trifluoromethyl)benzoic acid313-12-2 2-Amino-6-(trifluoromethyl)benzoic acid314-46-5

Elsewhere

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