chempirical

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

C7H3ClF3NO2CAS 80194-68-9225.55 g/mol

Open in Covalent MOL file
NClOOHFFF
Alkyl halideAryl halideCarboxylic 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 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
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)

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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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