Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

C₇H₄ClF₃N₂O₂CAS 175137-27-6240.57 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ester

Properties

Molecular formula: C₇H₄ClF₃N₂O₂
Molar mass: 240.57 g/mol
Exact mass: 239.9913 Da
logP: 1.94Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

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

175137-27-6

SMILES

COC(=O)C1=CN=C(N=C1C(F)(F)F)Cl

InChIKey

VLUBJYUOPNGBOQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClF3N2O2/c1-15-5(14)3-2-12-6(8)13-4(3)7(9,10)11/h2H,1H3

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Work with Methyl 2-chloro-4-(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 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-670 % similar Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-663 % similar 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride154934-99-361 % similar Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate175137-29-860 % similar 4-Chlorobenzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate175137-30-159 % similar Methyl 2-chloropyrimidine-5-carboxylate287714-35-650 % similar Methyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate655235-65-748 % similar Methyl 4-(trifluoromethyl)nicotinate175204-82-748 % similar

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

Same formula

5-Chloro-2-nitro-4-(trifluoromethyl)aniline35375-74-7 2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine400-67-9 4-Amino-3-chloro-5-nitrobenzotrifluoride57729-79-0

Elsewhere

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