2-bromo-5-phenylpyrazine

• ChemBase ID: 815467
• Molecular Formular: C10H7BrN2
• Molecular Mass: 235.07998
• Monoisotopic Mass: 233.97926023
• SMILES: c1c(ncc(n1)c1ccccc1)Br
• Canonical SMILES: Brc1cnc(cn1)c1ccccc1
• InChI: InChI=1S/C10H7BrN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: SLFNGAVOQANKIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-phenylpyrazine
• IUPAC Traditional name: 2-bromo-5-phenylpyrazine
• Synonyms: 2-bromo-5-phenylpyrazine

Database IDs

• CAS Number: 243472-69-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5452511
• LogD (pH = 7.4): 2.5452514
• Log P: 2.5452514
• Molar Refractivity: 54.9734 cm^3
• Polarizability: 22.22578 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%