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

• ChemBase ID: 65699
• Molecular Formular: C7H4BrIN2
• Molecular Mass: 322.92853
• Monoisotopic Mass: 321.86025814
• SMILES: c1(cn2c(cc1)ncc2I)Br
• Canonical SMILES: Brc1ccc2n(c1)c(I)cn2
• InChI: InChI=1S/C7H4BrIN2/c8-5-1-2-7-10-3-6(9)11(7)4-5/h1-4H
• InChIKey: VADGFPDSVWQCHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 474706-74-6
• MDL Number: MFCD18800553
• PubChem SID: 162031438
• PubChem CID: 22031632

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4413297
• LogD (pH = 7.4): 2.7089543
• Log P: 2.7140114
• Molar Refractivity: 55.2206 cm^3
• Polarizability: 21.671192 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%