5-bromo-2-chloro-3-methylpyrazine

• ChemBase ID: 801536
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: c1(c(ncc(n1)Br)Cl)C
• Canonical SMILES: Brc1cnc(c(n1)C)Cl
• InChI: InChI=1S/C5H4BrClN2/c1-3-5(7)8-2-4(6)9-3/h2H,1H3
• InChIKey: RWDYAMJQLRNUCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-chloro-3-methylpyrazine
• IUPAC Traditional name: 5-bromo-2-chloro-3-methylpyrazine
• Synonyms: 5-BROMO-2-CHLORO-3-METHYLPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4677676
• LogD (pH = 7.4): 1.4677676
• Log P: 1.4677676
• Molar Refractivity: 40.6668 cm^3
• Polarizability: 15.345689 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%