6-bromo-2-chloro-8-iodoimidazo[1,2-a]pyridine

• ChemBase ID: 237397
• Molecular Formular: C7H3BrClIN2
• Molecular Mass: 357.37359
• Monoisotopic Mass: 355.82128579
• SMILES: c12n(cc(n1)Cl)cc(cc2I)Br
• Canonical SMILES: Brc1cc(I)c2n(c1)cc(n2)Cl
• InChI: InChI=1S/C7H3BrClIN2/c8-4-1-5(10)7-11-6(9)3-12(7)2-4/h1-3H
• InChIKey: JWBPSBVWFHJTRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloro-8-iodoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-bromo-2-chloro-8-iodoimidazo[1,2-a]pyridine
• Synonyms: 6-bromo-2-chloro-8-iodoimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD22391932
• PubChem SID: 164293307
• PubChem CID: 71755924

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2783585
• LogD (pH = 7.4): 3.281429
• Log P: 3.2814684
• Molar Refractivity: 62.7878 cm^3
• Polarizability: 23.69405 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.137

Product Information

• Purity: 95%