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

• ChemBase ID: 69172
• Molecular Formular: C6H3BrIN3
• Molecular Mass: 323.91659
• Monoisotopic Mass: 322.85550711
• SMILES: c12c(nccn1c(cn2)I)Br
• Canonical SMILES: Brc1nccn2c1ncc2I
• InChI: InChI=1S/C6H3BrIN3/c7-5-6-10-3-4(8)11(6)2-1-9-5/h1-3H
• InChIKey: NOZCLAVGNUXSGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1245644-46-5
• MDL Number: MFCD18072714
• PubChem SID: 162034901
• PubChem CID: 56965738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7996165
• LogD (pH = 7.4): 1.7996793
• Log P: 1.79968
• Molar Refractivity: 53.9059 cm^3
• Polarizability: 20.987991 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+%