6,8-dibromo-2-methylimidazo[1,2-a]pyrazine

• ChemBase ID: 287647
• Molecular Formular: C7H5Br2N3
• Molecular Mass: 290.9427
• Monoisotopic Mass: 288.88502118
• SMILES: Cc1cn2c(c(Br)nc(Br)c2)n1
• Canonical SMILES: Brc1nc(Br)c2n(c1)cc(n2)C
• InChI: InChI=1S/C7H5Br2N3/c1-4-2-12-3-5(8)11-6(9)7(12)10-4/h2-3H,1H3
• InChIKey: VBOLRIOORWFVNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dibromo-2-methylimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 6,8-dibromo-2-methylimidazo[1,2-a]pyrazine
• Synonyms: 6,8-Dibromo-2-methylimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 1208082-91-0
• PubChem SID: 180673178
• PubChem CID: 45789816

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6212738
• LogD (pH = 7.4): 1.6217898
• Log P: 1.6217965
• Molar Refractivity: 55.301 cm^3
• Polarizability: 20.28793 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%