Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate

C₉H₈F₃NO₂CAS 597532-36-0219.16 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₉H₈F₃NO₂
Molar mass: 219.16 g/mol
Exact mass: 219.0507 Da
logP: 2.28Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

597532-36-0

SMILES

CCOC(=O)c1ccc(C(F)(F)F)nc1

InChIKey

NRFRJTLIEGYCOA-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F3NO2/c1-2-15-8(14)6-3-4-7(13-5-6)9(10,11)12/h3-5H,2H2,1H3

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Names and synonyms

3 names

3-Pyridinecarboxylic acid, 6-(trifluoromethyl)-, ethyl ester
Ethyl 6-trifluoromethylnicotinate
6-Trifluoromethylnicotinic acid ethyl ester

Work with Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate

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

5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-564 % similar Ethyl 4-trifluoromethylbenzoate583-02-863 % similar Ethyl 6-chloronicotinate49608-01-760 % similar Diethyl terephthalate636-09-956 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-454 % similar Ethyl 3-(trifluoromethyl)benzoate76783-59-053 % similar 6-Trifluoromethylnicotinic acid231291-22-852 % similar Ethyl o-(trifluoromethyl)benzoate577-62-852 % similar

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

Same formula

Methyl 2-amino-5-(trifluoromethyl)benzoate117324-58-0 4-(Trifluoromethyl)-dl-phenylglycine142012-65-5 Methyl 2-amino-4-(trifluoromethyl)benzoate61500-87-6

Elsewhere

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