Cas no 1554536-02-5 (7-Fluorocinnoline-3-carboxylic acid)

7-Fluorocinnoline-3-carboxylic acid is a fluorinated cinnoline derivative characterized by its carboxylic acid functional group at the 3-position and a fluorine substituent at the 7-position. This compound serves as a versatile intermediate in pharmaceutical and agrochemical research, particularly in the synthesis of heterocyclic compounds with potential biological activity. The fluorine atom enhances metabolic stability and binding affinity, while the carboxylic acid group allows for further derivatization, such as amide or ester formation. Its well-defined structure and high purity make it suitable for use in medicinal chemistry and material science applications. The compound is typically handled under controlled conditions due to its reactivity.
7-Fluorocinnoline-3-carboxylic acid structure
1554536-02-5 structure
Product Name:7-Fluorocinnoline-3-carboxylic acid
CAS No:1554536-02-5
MF:C9H5FN2O2
MW:192.14660525322
CID:5915035
PubChem ID:83877898
Update Time:2025-06-07

7-Fluorocinnoline-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • EN300-7433557
    • 1554536-02-5
    • 7-fluorocinnoline-3-carboxylic acid
    • 7-Fluorocinnoline-3-carboxylic acid
    • Inchi: 1S/C9H5FN2O2/c10-6-2-1-5-3-8(9(13)14)12-11-7(5)4-6/h1-4H,(H,13,14)
    • InChI Key: UVKIVFWJRCOJFT-UHFFFAOYSA-N
    • SMILES: FC1C=CC2C=C(C(=O)O)N=NC=2C=1

Computed Properties

  • Exact Mass: 192.03350557g/mol
  • Monoisotopic Mass: 192.03350557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 237
  • 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: 1.1
  • Topological Polar Surface Area: 63.1?2

7-Fluorocinnoline-3-carboxylic acid Pricemore >>

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