Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate

C9H8F3NO2CAS 597532-36-0219.16 g/mol

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OOFFFN
Alkyl halideEster

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Methyl 6-(trifluoromethyl)nicotinate221313-10-668 % similar Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate304693-64-968 % similar 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-564 % similar 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-363 % similar Ethyl 4-trifluoromethylbenzoate583-02-863 % similar Ethyl 6-methylnicotinate21684-59-361 % similar Ethyl 6-aminonicotinate39658-41-860 % similar Ethyl 6-chloronicotinate49608-01-760 % 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 Ethyl 2-(Trifluoromethyl)nicotinate208517-35-5 2-(Trifluoromethyl)-DL-phenylglycine240490-00-0 3-(Trifluoromethyl)-DL-phenylglycine242475-26-9 Methyl 2-amino-4-(trifluoromethyl)benzoate61500-87-6

Elsewhere

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