3-bromo-8-methoxyimidazo[1,2-a]pyrazine

• ChemBase ID: 67618
• Molecular Formular: C7H6BrN3O
• Molecular Mass: 228.04604
• Monoisotopic Mass: 226.96942383
• SMILES: c12c(nccn1c(cn2)Br)OC
• Canonical SMILES: COc1nccn2c1ncc2Br
• InChI: InChI=1S/C7H6BrN3O/c1-12-7-6-10-4-5(8)11(6)3-2-9-7/h2-4H,1H3
• InChIKey: QPEGJUSNDDPOHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-8-methoxyimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 3-bromo-8-methoxyimidazo[1,2-a]pyrazine
• Synonyms: 3-Bromo-8-methoxyimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 91775-62-1
• MDL Number: MFCD09835035
• PubChem SID: 162033353
• PubChem CID: 15025841

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4477114
• LogD (pH = 7.4): 0.44777063
• Log P: 0.44777137
• Molar Refractivity: 47.961 cm^3
• Polarizability: 17.949654 Å^3
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%