Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate

C₈H₇F₃N₂O₃CAS 343-67-9236.15 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₈H₇F₃N₂O₃
Molar mass: 236.15 g/mol
Exact mass: 236.0409 Da
logP: 0.97Crippen estimate
Polar surface area: 72.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

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

Identifiers

CAS number

343-67-9

SMILES

CCOC(=O)C1=CN=C(NC1=O)C(F)(F)F

InChIKey

QTKCIBZWYLMGRS-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3N2O3/c1-2-16-6(15)4-3-12-7(8(9,10)11)13-5(4)14/h3H,2H2,1H3,(H,12,13,14)

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Work with Ethyl 4-hydroxy-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 4-hydroxy-2-methylpyrimidine-5-carboxylate53135-24-364 % similar Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate155377-19-854 % similar Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-654 % similar Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate720-01-453 % similar Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate304693-64-951 % similar Ethyl 2-(Trifluoromethyl)nicotinate208517-35-550 % similar Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-448 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-048 % similar

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

Same formula

Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate154934-97-1

Elsewhere

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