chempirical

2,4-Dichloro-5-iodopyrimidine

C4HCl2IN2CAS 13544-44-0274.87 g/mol

Open in Covalent MOL file
ClNIClN
Aryl halide

Properties

Molecular formula
C4HCl2IN2
Molar mass
274.87 g/mol
Exact mass
273.8562 Da
Melting point
71–72 °C
logP
2.39Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
13544-44-0
SMILES
Clc1ncc(I)c(Cl)n1
InChIKey
RGJNPJRAXMSHKN-UHFFFAOYSA-N
InChI
InChI=1S/C4HCl2IN2/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-iodo-
  • 5-Iodo-2,4-dichloropyrimidine
  • NSC 97872
  • 2,4-Chloro-5-iodopyrimidine

Work with 2,4-Dichloro-5-iodopyrimidine

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-methylpyrimidine1780-31-056 % similar 2,4-Dichloro-5-fluoropyrimidine2927-71-150 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-550 % similar 2,4-Dichloro-5-(trifluoromethyl)pyrimidine3932-97-645 % similar 2,5-Dichloro-3-iodopyridine942206-23-743 % similar 6-Bromo-2-chloro-3-iodopyridine1138444-17-342 % similar 2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine1012785-51-141 % 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-iodopyrimidine1137576-38-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook