3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid

C₇H₃ClF₃NO₂CAS 80194-68-9225.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₃ClF₃NO₂
Molar mass: 225.55 g/mol
Exact mass: 224.9804 Da
logP: 2.45Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
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 irritation75% of notifiers

Aggregated from 4 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

80194-68-9

SMILES

C1=C(C=NC(=C1Cl)C(=O)O)C(F)(F)F

InChIKey

HXRMCZBDTDCCOP-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)

Weigh it out

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

Work with 3-Chloro-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

3-Chloro-5-(trifluoromethyl)-2-pyridinecarbothioamide175277-46-061 % similar 3,5-Dichloro-2-pyridinecarboxylic acid81719-53-161 % similar Methyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate655235-65-760 % similar Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate128073-16-557 % similar 2-Chloro-4-trifluoromethylbenzoic acid23228-45-756 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid129931-45-953 % similar 2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-753 % similar 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-nitrobenzotrifluoride118-83-2 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-5 2-Chloro-4-nitrobenzotrifluoride151504-80-2 2-Chloro-6-trifluoromethylnicotinic acid280566-45-2 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-1 3-Chloro-5-nitrobenzotrifluoride401-93-4 3-Chloro-4-nitrobenzotrifluoride402-11-9 2-Chloro-5-(trifluoromethyl)nicotinic acid505084-59-3

Elsewhere

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