6-bromoimidazo[1,2-a]pyrazine

• ChemBase ID: 66778
• Molecular Formular: C6H4BrN3
• Molecular Mass: 198.02006
• Monoisotopic Mass: 196.95885914
• SMILES: c12cnc(cn1ccn2)Br
• Canonical SMILES: Brc1ncc2n(c1)ccn2
• InChI: InChI=1S/C6H4BrN3/c7-5-4-10-2-1-8-6(10)3-9-5/h1-4H
• InChIKey: KKMWDXNBIKMCEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 6-bromoimidazo[1,2-a]pyrazine
• Synonyms: 6-Bromoimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 912773-24-1
• MDL Number: MFCD09750036
• PubChem SID: 162032514
• PubChem CID: 28875892

CALCULATED PROPERTIES

• Log P: 0.51615167
• Molar Refractivity: 42.2445 cm^3
• Polarizability: 15.387485 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5122914
• LogD (pH = 7.4): 0.5161028

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%