2-bromo-3,5-dimethylpyrazine

• ChemBase ID: 801765
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(c(ncc(n1)C)Br)C
• Canonical SMILES: Cc1cnc(c(n1)C)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
• InChIKey: AGCIADOQTBDMMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3,5-dimethylpyrazine
• IUPAC Traditional name: 2-bromo-3,5-dimethylpyrazine
• Synonyms: 2-BROMO-3,5-DIMETHYLPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.77488786
• LogD (pH = 7.4): 0.7749156
• Log P: 0.77491593
• Molar Refractivity: 39.3922 cm^3
• Polarizability: 15.009931 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%