chempirical

2-Chloro-5-(trifluoromethyl)pyrimidine

C5H2ClF3N2CAS 69034-12-4182.53 g/mol

Open in Covalent MOL file
NNClFFF
Alkyl halideAryl halide

Properties

Molecular formula
C5H2ClF3N2
Molar mass
182.53 g/mol
Exact mass
181.9859 Da
logP
2.15Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

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
69034-12-4
SMILES
C1=C(C=NC(=N1)Cl)C(F)(F)F
InChIKey
TYCYTQLXAIDJNF-UHFFFAOYSA-N
InChI
InChI=1S/C5H2ClF3N2/c6-4-10-1-3(2-11-4)5(7,8)9/h1-2H

Weigh it out

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

Names and synonyms

1 names
  • Pyrimidine, 2-chloro-5-(trifluoromethyl)- (9ci)

Work with 2-Chloro-5-(trifluoromethyl)pyrimidine

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

2-Chloro-5-(trifluoromethyl)pyridine52334-81-356 % similar 2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-752 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine72537-17-850 % similar 2-Chloro-3-fluoro-5-(trifluoromethyl)pyridine72600-67-050 % similar 2-Bromo-3-chloro-5-(trifluoromethyl)pyridine75806-84-750 % similar 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine71701-92-348 % similar 2-Chloro-5-(trifluoromethyl)pyridin-3-amine72587-18-948 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinamine79456-26-148 % similar

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

Same formula

3-Chloro-6-(trifluoromethyl)pyridazine258506-68-2 2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-2 4-Chloro-6-trifluoromethylpyrimidine37552-81-1 2-Chloro-5-(trifluoromethyl)pyrazine799557-87-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook