2-Methyl-6-(trifluoromethyl)nicotinic acid

C₈H₆F₃NO₂CAS 261635-93-2205.14 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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 4-(Trifluoromethyl)thiazole-2-carboxylic acid944900-55-449 % similar 2-Methyl-6-(trifluoromethyl)pyridin-3-amine383907-17-349 % similar 2-(Trifluoromethyl)benzoic acid433-97-649 % similar 4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid144059-86-948 % 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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