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

C₉H₇ClF₃NO₂CAS 128073-16-5253.61 g/mol

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Alkyl halide Aryl halide Ester

Properties

Molecular formula: C₉H₇ClF₃NO₂
Molar mass: 253.61 g/mol
Exact mass: 253.0117 Da
logP: 2.93Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

128073-16-5

SMILES

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

InChIKey

COMQYNZHBCNPNW-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-6(10)3-5(4-14-7)9(11,12)13/h3-4H,2H2,1H3

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Names and synonyms

1 names

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

Work with Ethyl 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-(trifluoromethyl)benzoate76783-59-052 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinecarbothioamide175277-46-050 % similar Ethyl 4-trifluoromethylbenzoate583-02-850 % similar Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-448 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-048 % similar Haloxyfop-ethoxyethyl87237-48-747 % similar 5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester105151-39-146 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-446 % similar

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

Same formula

2-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide161290-85-3

Elsewhere

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