4-bromo-2-chloro-6-iodopyrimidine

• ChemBase ID: 801487
• Molecular Formular: C4HBrClIN2
• Molecular Mass: 319.32561
• Monoisotopic Mass: 317.80563572
• SMILES: c1c(nc(nc1I)Cl)Br
• Canonical SMILES: Brc1cc(I)nc(n1)Cl
• InChI: InChI=1S/C4HBrClIN2/c5-2-1-3(7)9-4(6)8-2/h1H
• InChIKey: XZAIBMLMZLSXBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-chloro-6-iodopyrimidine
• IUPAC Traditional name: 4-bromo-2-chloro-6-iodopyrimidine
• Synonyms: 4-BROMO-2-CHLORO-6-IODOPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8940926
• LogD (pH = 7.4): 2.8940926
• Log P: 2.8940926
• Molar Refractivity: 49.7565 cm^3
• Polarizability: 19.342258 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%