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

• ChemBase ID: 288002
• Molecular Formular: C7H6BrN3O
• Molecular Mass: 228.04604
• Monoisotopic Mass: 226.96942383
• SMILES: COc1nc(Br)cn2c1ncc2
• Canonical SMILES: COc1nc(Br)cn2c1ncc2
• InChI: InChI=1S/C7H6BrN3O/c1-12-7-6-9-2-3-11(6)4-5(8)10-7/h2-4H,1H3
• InChIKey: NFZLMWYHNQPCDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-methoxyimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 6-bromo-8-methoxyimidazo[1,2-a]pyrazine
• Synonyms: 6-Bromo-8-methoxyimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 63744-25-2
• PubChem SID: 180673533
• PubChem CID: 11790955

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9522456
• LogD (pH = 7.4): 0.9529292
• Log P: 0.9529379
• Molar Refractivity: 49.0212 cm^3
• Polarizability: 17.959541 Å^3
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%