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

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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-Chloro-5-iodopyrimidin-4-amine597551-56-957 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-056 % similar 2,4,5-Trichloropyrimidine5750-76-554 % similar 2,4-Dichloro-5-fluoropyrimidine2927-71-150 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-550 % similar 2,4-Dichloro-5-aminopyrimidine5177-27-550 % similar 4-Chloro-5-iodopyrimidine63558-65-650 % similar 2,4-Dichloro-5-methoxypyrimidine19646-07-245 % 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