5-bromoimidazo[1,2-a]pyrazine

• ChemBase ID: 67924
• Molecular Formular: C6H4BrN3
• Molecular Mass: 198.02006
• Monoisotopic Mass: 196.95885914
• SMILES: c12cncc(n1ccn2)Br
• Canonical SMILES: Brc1cncc2n1ccn2
• InChI: InChI=1S/C6H4BrN3/c7-5-3-8-4-6-9-1-2-10(5)6/h1-4H
• InChIKey: VNOIGNRRWFGLBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromoimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 5-bromoimidazo[1,2-a]pyrazine
• Synonyms: 5-Bromoimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 87597-26-0
• MDL Number: MFCD08460076
• PubChem SID: 162033659
• PubChem CID: 137318

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.007794764
• LogD (pH = 7.4): 0.010944778
• Log P: 0.010985116
• Molar Refractivity: 41.1843 cm^3
• Polarizability: 15.379232 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+%