5-bromo-4-iodopyrimidine

• ChemBase ID: 814059
• Molecular Formular: C4H2BrIN2
• Molecular Mass: 284.88055
• Monoisotopic Mass: 283.84460807
• SMILES: c1(c(ncnc1)I)Br
• Canonical SMILES: Brc1cncnc1I
• InChI: InChI=1S/C4H2BrIN2/c5-3-1-7-2-8-4(3)6/h1-2H
• InChIKey: JDWAEFAUPPRECL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-iodopyrimidine
• IUPAC Traditional name: 5-bromo-4-iodopyrimidine
• Synonyms: 5-bromo-4-iodopyrimidine

Database IDs

• CAS Number: 898559-22-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7800187
• LogD (pH = 7.4): 1.7800201
• Log P: 1.7800202
• Molar Refractivity: 43.4157 cm^3
• Polarizability: 17.180515 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%