Methyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate

C₈H₅ClF₃NO₂CAS 655235-65-7239.58 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ester

Properties

Molecular formula: C₈H₅ClF₃NO₂
Molar mass: 239.58 g/mol
Exact mass: 238.9961 Da
logP: 2.54Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
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

655235-65-7

SMILES

COC(=O)C1=C(C=C(C=N1)C(F)(F)F)Cl

InChIKey

IBDYTWWXSCCQRL-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClF3NO2/c1-15-7(14)6-5(9)2-4(3-13-6)8(10,11)12/h2-3H,1H3

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Names and synonyms

1 names

2-Pyridinecarboxylic acid,3-chloro-5-(trifluoromethyl)-,methyl ester

Work with Methyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate

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

Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate128073-16-570 % similar 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-060 % similar 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid80194-68-960 % similar 3-Chloro-2-methoxy-5-(trifluoromethyl)pyridine175136-17-153 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinecarbothioamide175277-46-053 % similar Methyl 3,5-bistrifluoromethylbenzoate26107-80-250 % similar 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-950 % similar Methyl 3-trifluoromethylbenzoate2557-13-349 % similar

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

Same formula

2-Nitro-4-(trifluoromethyl)benzyl chloride225656-59-7

Elsewhere

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