2-bromo-6-(chloromethyl)pyrazine

• ChemBase ID: 814340
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: c1c(nc(cn1)CCl)Br
• Canonical SMILES: ClCc1cncc(n1)Br
• InChI: InChI=1S/C5H4BrClN2/c6-5-3-8-2-4(1-7)9-5/h2-3H,1H2
• InChIKey: VZLDKKZGXJXHKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(chloromethyl)pyrazine
• IUPAC Traditional name: 2-bromo-6-(chloromethyl)pyrazine
• Synonyms: 2-bromo-6-(chloromethyl)pyrazine

Database IDs

• CAS Number: 1196154-59-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1808892
• LogD (pH = 7.4): 1.1808896
• Log P: 1.1808896
• Molar Refractivity: 39.5539 cm^3
• Polarizability: 15.299434 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%