chempirical

2-Bromo-4-(trifluoro methyl)pryrimidine

C5H2BrF3N2CAS 785777-87-9226.98 g/mol

Open in Covalent MOL file
NNFFFBr
Alkyl halideAryl halide

Properties

Molecular formula
C5H2BrF3N2
Molar mass
226.98 g/mol
Exact mass
225.9353 Da
logP
2.26Crippen 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
785777-87-9
SMILES
C1=CN=C(N=C1C(F)(F)F)Br
InChIKey
RHCZXIKKGYOYQZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H2BrF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H

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Names and synonyms

1 names
  • 2-Bromo-4-(trifluoromethyl)pyrimidine

Work with 2-Bromo-4-(trifluoro methyl)pryrimidine

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-4-(trifluoromethyl)pyrimidine33034-67-257 % similar 2-Amino-4-(trifluoromethyl)pyrimidine16075-42-655 % similar 2-Hydrazino-4-(trifluoromethyl)pyrimidine197305-97-852 % similar 2,4-Dibromopyrimidine3921-01-548 % similar 2-Bromo-6-(trifluoromethyl)pyridine189278-27-147 % similar 2,6-Bis(trifluoromethyl)pyridine455-00-546 % similar 2-Bromo-4-methylpyrimidine130645-48-645 % similar 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine179756-91-344 % similar

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

Same formula

5-Bromo-2-(trifluoromethyl)pyrimidine799557-86-1

Elsewhere

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