chempirical

2-Chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride

C6HCl2F3N2OCAS 154934-99-3244.98 g/mol

Open in Covalent MOL file
OClNClNFFF
Acyl halideAlkyl halideAryl halide

Properties

Molecular formula
C6HCl2F3N2O
Molar mass
244.98 g/mol
Exact mass
243.9418 Da
Melting point
158 °C
logP
2.53Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
154934-99-3
SMILES
O=C(Cl)c1cnc(Cl)nc1C(F)(F)F
InChIKey
BTRSILVUNQWNDR-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl2F3N2O/c7-4(14)2-1-12-5(8)13-3(2)6(9,10)11/h1H

Weigh it out

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

Names and synonyms

4 names
  • 5-Pyrimidinecarbonyl chloride, 2-chloro-4-(trifluoromethyl)-
  • 2-Chloro-4-trifluoromethyl-5-pyrimidinecarboxylic acid chloride
  • 2-Chloro-4-trifluoromethylpyrimidine-5-carboxylic acid
  • 2-Chloro-4-trifluoromethylpyrimidine-5-carbonyl chloride

Work with 2-Chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride

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

Phenylmethyl 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylate175137-29-852 % similar (4-Chlorophenyl)methyl 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylate175137-30-151 % similar 2,4-Dichloro-5-(trifluoromethyl)pyrimidine3932-97-645 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-743 % similar 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-742 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-540 % similar 2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-240 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride175137-14-140 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook