Cas no 1227270-55-4 (1-(benzenesulfonyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile)

1-(benzenesulfonyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile structure
1227270-55-4 structure
Product Name:1-(benzenesulfonyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CAS No:1227270-55-4
MF:C14H8IN3O2S
MW:409.201693534851
MDL:MFCD16875830
CID:2093339
PubChem ID:91809585
Update Time:2025-04-21

1-(benzenesulfonyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
    • 1-(Phenylsulphonyl)-4-cyano-2-iodo-7-azaindole
    • 1-(benzenesulfonyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
    • DB-423450
    • 1-(phenylsulfonyl)-4-cyano-2-iodo-7-azaindole
    • 1-(BENZENESULFONYL)-2-IODOPYRROLO[2,3-B]PYRIDINE-4-CARBONITRILE
    • 1227270-55-4
    • CS-0338510
    • AB91151
    • G82725
    • 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 2-iodo-1-(phenylsulfonyl)-
    • SCHEMBL17105339
    • DESXJOPVMAACAL-UHFFFAOYSA-N
    • 1-Benzenesulfonyl-2-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
    • MDL： MFCD16875830
    • Inchi： 1S/C14H8IN3O2S/c15-13-8-12-10(9-16)6-7-17-14(12)18(13)21(19,20)11-4-2-1-3-5-11/h1-8H
    • InChI Key： DESXJOPVMAACAL-UHFFFAOYSA-N
    • SMILES： IC1=CC2=C(C#N)C=CN=C2N1S(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 408.93820Da
  • Monoisotopic Mass: 408.93820Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 532
  • 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
  • XLogP3: 2.9
  • Topological Polar Surface Area: 84.1?2

Experimental Properties

  • Density: 1.83±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.078 g/l) (25 o C),

1-(benzenesulfonyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile Pricemore >>

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1-(benzenesulfonyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile Related Literature

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