Cas no 1016-36-0 (Ethyl 5-fluoro-1H-indazole-3-carboxylate)

Ethyl 5-fluoro-1H-indazole-3-carboxylate is a fluorinated indazole derivative with significant utility in pharmaceutical and agrochemical research. Its key structural features include a fluorine substituent at the 5-position and an ester group at the 3-position, enhancing its reactivity and potential as a versatile intermediate. The compound is particularly valuable in the synthesis of bioactive molecules, owing to its ability to serve as a scaffold for further functionalization. Its stability under standard conditions and compatibility with common synthetic methodologies make it a practical choice for heterocyclic chemistry applications. The fluorine moiety may also contribute to improved metabolic stability in drug development contexts.
Ethyl 5-fluoro-1H-indazole-3-carboxylate structure
1016-36-0 structure
Product Name:Ethyl 5-fluoro-1H-indazole-3-carboxylate
CAS No:1016-36-0
MF:C10H9FN2O2
MW:208.189065694809
MDL:MFCD07371577
CID:117369
PubChem ID:12689362
Update Time:2025-10-10

Ethyl 5-fluoro-1H-indazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole-3-carboxylicacid, 5-fluoro-, ethyl ester
    • 5-Fluoro-1H-indazole-3-carboxylic acid ethyl ester
    • LLPYNEVKCQMQBK-UHFFFAOYSA-N
    • ETHYL 5-FLUORO-1H-INDAZOLE-3-CARBOXYLATE
    • F95474
    • SY290256
    • SB30123
    • Ethyl5-fluoro-1H-indazole-3-carboxylate
    • SCHEMBL960087
    • 1016-36-0
    • FT-0720678
    • DTXSID10506967
    • Ethyl 5-Fluoroindazole-3-carboxylate
    • MFCD07371577
    • 1H-Indazole-3-carboxylic acid, 5-fluoro-, ethyl ester
    • DB-058628
    • Ethyl 5-fluoro-1H-indazole-3-carboxylate
    • MDL: MFCD07371577
    • Inchi: 1S/C10H9FN2O2/c1-2-15-10(14)9-7-5-6(11)3-4-8(7)12-13-9/h3-5H,2H2,1H3,(H,12,13)
    • InChI Key: LLPYNEVKCQMQBK-UHFFFAOYSA-N
    • SMILES: FC1C=CC2=C(C=1)C(C(=O)OCC)=NN2

Computed Properties

  • Exact Mass: 208.06500
  • Monoisotopic Mass: 208.06480570g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 250
  • 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: 2.2
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 357.3±22.0 °C at 760 mmHg
  • Flash Point: 169.9±22.3 °C
  • PSA: 54.98000
  • LogP: 1.87870
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

Ethyl 5-fluoro-1H-indazole-3-carboxylate Security Information

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Amadis Chemical Company Limited
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(CAS:1016-36-0)Ethyl 5-fluoro-1H-indazole-3-carboxylate
Order Number:A897117
Stock Status:in Stock
Quantity:250mg/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:58
Price ($):203.0/549.0
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Amadis Chemical Company Limited
(CAS:1016-36-0)Ethyl 5-fluoro-1H-indazole-3-carboxylate
A897117
Purity:99%/99%
Quantity:250mg/1g
Price ($):203.0/549.0
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