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

• ChemBase ID: 90921
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: n12cc(nc(c1ncc2)Br)C
• Canonical SMILES: Cc1cn2ccnc2c(n1)Br
• InChI: InChI=1S/C7H6BrN3/c1-5-4-11-3-2-9-7(11)6(8)10-5/h2-4H,1H3
• InChIKey: ISUGJROMRCUXOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1025976-69-5
• PubChem SID: 162077625
• PubChem CID: 10330802

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.49746862
• LogD (pH = 7.4): 0.6451837
• Log P: 0.6475218
• Molar Refractivity: 46.836 cm^3
• Polarizability: 17.124474 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive