3,6-dibromoimidazo[1,2-a]pyridine

• ChemBase ID: 290826
• Molecular Formular: C7H4Br2N2
• Molecular Mass: 275.92806
• Monoisotopic Mass: 273.87412214
• SMILES: Brc1cn2c(cc1)ncc2Br
• Canonical SMILES: Brc1ccc2n(c1)c(Br)cn2
• InChI: InChI=1S/C7H4Br2N2/c8-5-1-2-7-10-3-6(9)11(7)4-5/h1-4H
• InChIKey: OREHQDRYMUUZGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dibromoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3,6-dibromoimidazo[1,2-a]pyridine
• Synonyms: 3,6-Dibromoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 1065074-14-7
• PubChem SID: 180676357
• PubChem CID: 46739084

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7593688
• LogD (pH = 7.4): 1.9931563
• Log P: 1.9974102
• Molar Refractivity: 50.964 cm^3
• Polarizability: 19.261366 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%