Cas no 1000341-71-8 (3-Bromo-4-cyano-5-azaindole)

3-Bromo-4-cyano-5-azaindole is a versatile heterocyclic compound with a bromo substituent and a cyano group at positions 3 and 4, respectively. Its azaindole core contributes to its unique reactivity and stability. This compound is highly valued for its potential in medicinal chemistry, particularly for its role as a building block in the synthesis of biologically active molecules. Its key advantages include its synthetic accessibility, structural complexity, and potential for further modification to tailor its biological properties.
3-Bromo-4-cyano-5-azaindole structure
3-Bromo-4-cyano-5-azaindole structure
Product Name:3-Bromo-4-cyano-5-azaindole
CAS No:1000341-71-8
MF:C8H4BrN3
MW:222.041460037231
MDL:MFCD09749986
CID:840600
PubChem ID:24729430
Update Time:2025-06-18

3-Bromo-4-cyano-5-azaindole Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile
    • 3-Bromo-4-cyano-5-azaindole
    • 1000341-71-8
    • AKOS022173000
    • DTXSID30646773
    • DB-204310
    • MDL: MFCD09749986
    • Inchi: 1S/C8H4BrN3/c9-5-4-12-6-1-2-11-7(3-10)8(5)6/h1-2,4,12H
    • InChI Key: UBNCCIDMDSHYSA-UHFFFAOYSA-N
    • SMILES: BrC1=CNC2C=CN=C(C#N)C=21

Computed Properties

  • Exact Mass: 220.95892
  • Monoisotopic Mass: 220.95886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 222
  • 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: 1.7
  • Topological Polar Surface Area: 52.5?2

Experimental Properties

  • PSA: 45.75
  • LogP: 2.19708

3-Bromo-4-cyano-5-azaindole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM149476-1g
3-Bromo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile
1000341-71-8 95%
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Alichem
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Alichem
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3-Bromo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile
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TRC
B830253-1mg
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$ 50.00 2022-06-06
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$ 65.00 2022-06-06
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$ 160.00 2022-06-06
Chemenu
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eNovation Chemicals LLC
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Ambeed
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