2,5-dichloro-4-iodopyrimidine

• ChemBase ID: 801489
• Molecular Formular: C4HCl2IN2
• Molecular Mass: 274.87461
• Monoisotopic Mass: 273.8561514
• SMILES: c1(c(nc(nc1)Cl)I)Cl
• Canonical SMILES: Clc1ncc(c(n1)I)Cl
• InChI: InChI=1S/C4HCl2IN2/c5-2-1-8-4(6)9-3(2)7/h1H
• InChIKey: OMRHINHYEHOKCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-4-iodopyrimidine
• IUPAC Traditional name: 2,5-dichloro-4-iodopyrimidine
• Synonyms: 2,5-DICHLORO-4-IODOPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5238626
• LogD (pH = 7.4): 2.5238626
• Log P: 2.5238626
• Molar Refractivity: 46.0963 cm^3
• Polarizability: 18.141329 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%