5,8-dibromoimidazo[1,2-a]pyrazine

• ChemBase ID: 288860
• Molecular Formular: C6H3Br2N3
• Molecular Mass: 276.91612
• Monoisotopic Mass: 274.86937111
• SMILES: Brc1ncc(Br)n2c1ncc2
• Canonical SMILES: Brc1cnc(c2n1ccn2)Br
• InChI: InChI=1S/C6H3Br2N3/c7-4-3-10-5(8)6-9-1-2-11(4)6/h1-3H
• InChIKey: OVORGAZVJJAIEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dibromoimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 5,8-dibromoimidazo[1,2-a]pyrazine
• Synonyms: 5,8-Dibromoimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 957344-74-0
• MDL Number: MFCD13193554
• PubChem SID: 180674391
• PubChem CID: 53485949

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9847556
• LogD (pH = 7.4): 0.9852534
• Log P: 0.9852598
• Molar Refractivity: 49.6493 cm^3
• Polarizability: 18.576077 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%