chempirical

2,4-Dichloro-5-fluoropyrimidine

C4HCl2FN2CAS 2927-71-1166.96 g/mol

Open in Covalent MOL file
FNClNCl
Aryl halide

Properties

Molecular formula
C4HCl2FN2
Molar mass
166.96 g/mol
Exact mass
165.9501 Da
Melting point
38–39 °C
Boiling point
74–80 °C (at 16 Torr)
logP
1.92Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
2927-71-1
SMILES
Fc1cnc(Cl)nc1Cl
InChIKey
WHPFEQUEHBULBW-UHFFFAOYSA-N
InChI
InChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H

Weigh it out

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

Names and synonyms

4 names
  • Pyrimidine, 2,4-dichloro-5-fluoro-
  • NSC 70442
  • 5-Fluoro-2,4-dichloropyrimidine
  • 2,6-Dichloro-5-fluoropyrimidine

Work with 2,4-Dichloro-5-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

2,4-Dichloro-5-iodopyrimidine13544-44-050 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-050 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-550 % similar 2,4-Dichloro-5-(trifluoromethyl)pyrimidine3932-97-650 % similar 2-Chloro-3-fluoro-6-methylpyridine374633-32-642 % similar 2-Chloro-3-fluoro-5-methylpyridine34552-15-341 % similar 2-Chloro-3-fluoropyridine17282-04-140 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-138 % similar

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

Same formula

4,6-Dichloro-5-fluoropyrimidine213265-83-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook