Cas no 850348-94-6 (3H-Imidazo[4,5-b]pyridine,6-bromo-2-(4-iodophenyl)-)

3H-Imidazo[4,5-b]pyridine,6-bromo-2-(4-iodophenyl)- structure
850348-94-6 structure
Product Name:3H-Imidazo[4,5-b]pyridine,6-bromo-2-(4-iodophenyl)-
CAS No:850348-94-6
MF:C12H7BrIN3
MW:400.012553453445
CID:716840
Update Time:2024-01-31

3H-Imidazo[4,5-b]pyridine,6-bromo-2-(4-iodophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 3H-Imidazo[4,5-b]pyridine,6-bromo-2-(4-iodophenyl)-
    • 6-bromo-2-(4-iodophenyl)-1H-imidazo[4,5-b]pyridine
    • 6-BROMO-2-(4-IODO-PHENYL)-3H-IMIDAZO[4,5-B]PYRIDINE
    • 3H-Imidazo[4,5-b]pyridine, 6-bromo-2-(4-iodophenyl)-
    • Inchi: 1S/C12H7BrIN3/c13-8-5-10-12(15-6-8)17-11(16-10)7-1-3-9(14)4-2-7/h1-6H,(H,15,16,17)
    • InChI Key: SZMSFIACRLJDGW-UHFFFAOYSA-N
    • SMILES: C12NC(C3=CC=C(I)C=C3)=NC1=CC(Br)=CN=2

Computed Properties

  • Exact Mass: 398.88700
  • Monoisotopic Mass: 398.886803
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 271
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.6

Experimental Properties

  • PSA: 41.57000
  • LogP: 3.99200
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