chempirical

5-Bromo-2-fluoropyrimidine

C4H2BrFN2CAS 62802-38-4176.98 g/mol

Open in Covalent MOL file
FNBrN
Aryl halide

Properties

Molecular formula
C4H2BrFN2
Molar mass
176.98 g/mol
Exact mass
175.9385 Da
Melting point
92–93 °C
logP
1.38Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
62802-38-4
SMILES
Fc1ncc(Br)cn1
InChIKey
CTWZYPZCDJKBRS-UHFFFAOYSA-N
InChI
InChI=1S/C4H2BrFN2/c5-3-1-7-4(6)8-2-3/h1-2H

Weigh it out

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

Names and synonyms

2 names
  • Pyrimidine, 5-bromo-2-fluoro-
  • 2-Fluoro-5-bromopyrimidine

Work with 5-Bromo-2-fluoropyrimidine

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

5-Bromo-2-pyrimidinol214290-49-048 % similar 5-Bromo-2(1H)-pyrimidinone38353-06-948 % similar 5-Bromo-2,3-difluoropyridine89402-44-844 % similar 5-Bromo-2-pyrimidinecarbonitrile38275-57-942 % similar 5-Bromo-N,N-dimethyl-2-pyrimidinamine38696-21-842 % similar 5-Bromo-3-chloro-2-fluoropyridine38185-56-741 % similar 5-Bromopyrimidine4595-59-941 % similar 2,5-Dibromopyridine624-28-240 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook