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

• ChemBase ID: 69324
• Molecular Formular: C6H3BrIN3
• Molecular Mass: 323.91659
• Monoisotopic Mass: 322.85550711
• SMILES: c12cnc(cn1c(cn2)I)Br
• Canonical SMILES: Brc1ncc2n(c1)c(I)cn2
• InChI: InChI=1S/C6H3BrIN3/c7-4-3-11-5(8)1-10-6(11)2-9-4/h1-3H
• InChIKey: QQRGSZAMEYFXCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-iodoimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 6-bromo-3-iodoimidazo[1,2-a]pyrazine
• Synonyms: 6-Bromo-3-iodoimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 1245644-42-1
• MDL Number: MFCD18072708
• PubChem SID: 162035051
• PubChem CID: 56763839

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7993251
• LogD (pH = 7.4): 1.7996756
• Log P: 1.79968
• Molar Refractivity: 53.9059 cm^3
• Polarizability: 20.980907 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+%