Cas no 1000340-46-4 (4-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid)

4-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is a heterocyclic compound featuring a fused pyrrolopyridine core with cyano and carboxylic acid functional groups. This structure makes it a versatile intermediate in medicinal chemistry, particularly for the synthesis of biologically active molecules. The presence of both electron-withdrawing groups enhances its reactivity, facilitating further derivatization. Its rigid scaffold is valuable in designing kinase inhibitors and other therapeutic agents targeting protein-protein interactions. The compound’s high purity and stability under standard conditions ensure reliable performance in synthetic applications. Researchers value it for its potential in developing novel pharmaceuticals and agrochemicals.
4-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid structure
1000340-46-4 structure
Product Name:4-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CAS No:1000340-46-4
MF:C9H5N3O2
MW:187.154901266098
MDL:MFCD09880139
CID:841018
PubChem ID:24729577
Update Time:2025-10-29

4-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
    • 4-Cyano-7-azaindole 3-carboxylic acid
    • 4-Cyano-7-azaindole-3-carboxylic acid
    • 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-cyano-
    • 4-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carboxylicacid
    • CS-0366749
    • AKOS006313609
    • 1000340-46-4
    • I10597
    • 4-Cyano-7H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
    • DTXSID90646895
    • SB14403
    • MDL： MFCD09880139
    • Inchi： 1S/C9H5N3O2/c10-3-5-1-2-11-8-7(5)6(4-12-8)9(13)14/h1-2,4H,(H,11,12)(H,13,14)
    • InChI Key： RMWDOEYDAZDORR-UHFFFAOYSA-N
    • SMILES： OC(C1=CNC2C1=C(C#N)C=CN=2)=O

Computed Properties

  • Exact Mass: 187.038176411g/mol
  • Monoisotopic Mass: 187.038176411g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 296
  • 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: 0.6
  • Topological Polar Surface Area: 89.8?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 427.9±40.0 °C at 760 mmHg
  • Flash Point: 212.6±27.3 °C
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

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