chempirical

Ethyl 2-(Trifluoromethyl)nicotinate

C9H8F3NO2CAS 208517-35-5219.16 g/mol

Open in Covalent MOL file
OONFFF
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

Identifiers

CAS number
208517-35-5
SMILES
CCOC(=O)C1=C(N=CC=C1)C(F)(F)F
InChIKey
UNDXNPHDXSFEAE-UHFFFAOYSA-N
InChI
InChI=1S/C9H8F3NO2/c1-2-15-8(14)6-4-3-5-13-7(6)9(10,11)12/h3-5H,2H2,1H3

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Names and synonyms

1 names
  • 2-(Trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester

Work with Ethyl 2-(Trifluoromethyl)nicotinate

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 2-methyl-3-pyridinecarboxylate1721-26-262 % similar Ethyl o-(trifluoromethyl)benzoate577-62-862 % similar Ethyl 2-aminopyridine-3-carboxylate13362-26-060 % similar Ethyl chloronicotinate1452-94-460 % similar Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-657 % similar 1-Methyl-3-trifluoromethylpyrazole-4-carboxylic acid ethyl ester111493-74-455 % similar Diethyl phthalate84-66-255 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-853 % 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 2-(Trifluoromethyl)-DL-phenylglycine240490-00-0 3-(Trifluoromethyl)-DL-phenylglycine242475-26-9 Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-0 Methyl 2-amino-4-(trifluoromethyl)benzoate61500-87-6

Elsewhere

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