6-bromo-2-methylimidazo[1,2-a]pyrazine

• ChemBase ID: 67830
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: c12cnc(cn1cc(n2)C)Br
• Canonical SMILES: Brc1ncc2n(c1)cc(n2)C
• InChI: InChI=1S/C7H6BrN3/c1-5-3-11-4-6(8)9-2-7(11)10-5/h2-4H,1H3
• InChIKey: XAGXDXBNVFYZNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methylimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 6-bromo-2-methylimidazo[1,2-a]pyrazine
• Synonyms: 6-Bromo-2-methylimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 1159811-97-8
• MDL Number: MFCD12400904
• PubChem SID: 162033565
• PubChem CID: 45789821

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6442745
• LogD (pH = 7.4): 0.6474808
• Log P: 0.6475218
• Molar Refractivity: 46.836 cm^3
• Polarizability: 17.119154 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%