Cas no 1313712-24-1 (2-(7-Fluoro-1H-indol-1-yl)acetic acid)

2-(7-Fluoro-1H-indol-1-yl)acetic acid is a fluorinated indole derivative with a carboxylic acid functional group, making it a versatile intermediate in organic synthesis and pharmaceutical research. The presence of the fluorine atom at the 7-position enhances its electronic properties, potentially improving binding affinity in bioactive molecules. The acetic acid moiety allows for further derivatization, enabling its use in the development of peptidomimetics, enzyme inhibitors, or other pharmacologically relevant compounds. Its well-defined structure and high purity make it suitable for precise chemical modifications. This compound is particularly valuable in medicinal chemistry for exploring structure-activity relationships in drug discovery.
2-(7-Fluoro-1H-indol-1-yl)acetic acid structure
1313712-24-1 structure
Product Name:2-(7-Fluoro-1H-indol-1-yl)acetic acid
CAS No:1313712-24-1
MF:C10H8FNO2
MW:193.174426078796
CID:1028636
PubChem ID:57368036
Update Time:2025-05-27

2-(7-Fluoro-1H-indol-1-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(7-Fluoro-1H-indol-1-yl)acetic acid
    • 2-(7-fluoroindol-1-yl)acetic acid
    • 7-Fluoro-indole-1-acetic acid
    • (7-FLUOROINDOL-1-YL)ACETIC ACID
    • DB-344801
    • DTXSID50724486
    • (7-Fluoro-indol-1-yl)-acetic acid
    • 1313712-24-1
    • SCHEMBL15157057
    • 2-(7-Fluoro-1H-indol-1-yl)aceticacid
    • G10743
    • (7-Fluoro-1H-indol-1-yl)acetic acid
    • AKOS015995187
    • 1H-Indole-1-acetic acid, 7-fluoro-
    • Inchi: 1S/C10H8FNO2/c11-8-3-1-2-7-4-5-12(10(7)8)6-9(13)14/h1-5H,6H2,(H,13,14)
    • InChI Key: XWRFQLMCZGCXQB-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC2C=CN(CC(=O)O)C=21

Computed Properties

  • Exact Mass: 193.05390666g/mol
  • Monoisotopic Mass: 193.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 234
  • 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: 1.8
  • Topological Polar Surface Area: 42.2?2

2-(7-Fluoro-1H-indol-1-yl)acetic acid Pricemore >>

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