chempirical

Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate

C8H7F3N2O2CAS 304693-64-9220.15 g/mol

Open in Covalent MOL file
OONNFFF
Alkyl halideEster

Properties

Molecular formula
C8H7F3N2O2
Molar mass
220.15 g/mol
Exact mass
220.0460 Da
logP
1.67Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
304693-64-9
SMILES
CCOC(=O)C1=CN=C(N=C1)C(F)(F)F
InChIKey
LRUCUGOOQHJEQP-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Ethyl 2-(trifluoromethyl)pyrimidine-5-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 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-068 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-462 % similar Ethyl 4-trifluoromethylbenzoate583-02-859 % similar 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-556 % similar Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-456 % similar Ethyl 6-methylnicotinate21684-59-354 % similar Ethyl 3-(trifluoromethyl)benzoate76783-59-053 % similar Ethyl 6-aminonicotinate39658-41-852 % similar

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

Same formula

6-Methoxy-4-(trifluoromethyl)pyridine-3-carboxamide175204-87-2 4-(Trifluoromethoxy)benzoic acid hydrazide175277-18-6 2-(Trifluoromethoxy)benzoic hydrazide175277-19-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook