Cas no 74443-00-8 (Ethyl 5-cyano-6-hydroxynicotinate)

Ethyl 5-cyano-6-hydroxynicotinate structure
74443-00-8 structure
Product Name:Ethyl 5-cyano-6-hydroxynicotinate
CAS No:74443-00-8
MF:C9H8N2O3
MW:192.1714220047
CID:1768156
PubChem ID:12631995
Update Time:2025-04-21

Ethyl 5-cyano-6-hydroxynicotinate Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-6-oxo-, ethyl ester
    • Ethyl 5-cyano-6-hydroxynicotinate
    • SB54708
    • SCHEMBL3954184
    • AKOS005265073
    • SCHEMBL22542501
    • 74443-00-8
    • ethyl 5-cyano-6-oxo-1H-pyridine-3-carboxylate
    • Ethyl5-cyano-6-hydroxynicotinate
    • ethyl 5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylate
    • VQGMRETZBGIACU-UHFFFAOYSA-N
    • DA-03138
    • Inchi: 1S/C9H8N2O3/c1-2-14-9(13)7-3-6(4-10)8(12)11-5-7/h3,5H,2H2,1H3,(H,11,12)
    • InChI Key: VQGMRETZBGIACU-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CNC(C(C#N)=C1)=O)=O

Computed Properties

  • Exact Mass: 192.05354
  • Monoisotopic Mass: 192.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 384
  • 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: 0.1
  • Topological Polar Surface Area: 79.2?2

Experimental Properties

  • PSA: 79.19

Ethyl 5-cyano-6-hydroxynicotinate Pricemore >>

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