5-bromo-2-iodo-3-methylpyrazine

• ChemBase ID: 801537
• Molecular Formular: C5H4BrIN2
• Molecular Mass: 298.90713
• Monoisotopic Mass: 297.86025814
• SMILES: c1(c(ncc(n1)Br)I)C
• Canonical SMILES: Brc1cnc(c(n1)C)I
• InChI: InChI=1S/C5H4BrIN2/c1-3-5(7)8-2-4(6)9-3/h2H,1H3
• InChIKey: DWPCUQHAWFUFAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-iodo-3-methylpyrazine
• IUPAC Traditional name: 5-bromo-2-iodo-3-methylpyrazine
• Synonyms: 5-BROMO-2-IODO-3-METHYLPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6050779
• LogD (pH = 7.4): 1.6050779
• Log P: 1.6050779
• Molar Refractivity: 47.8713 cm^3
• Polarizability: 18.908922 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%