Cas no 85614-89-7 (Ethyl 5-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate)

Ethyl 5-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate structure
85614-89-7 structure
Product Name:Ethyl 5-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CAS No:85614-89-7
MF:C9H11NO3
MW:181.188542604446
MDL:MFCD27665411
CID:1088883
PubChem ID:13004792
Update Time:2025-04-20

Ethyl 5-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
    • ethyl 5-methyl-6-oxo-1H-pyridine-3-carboxylate
    • Ethyl 6-hydroxy-5-methylnicotinate
    • JHCSTTZXOPMLAN-UHFFFAOYSA-N
    • FCH3813828
    • AK138426
    • AX8260029
    • 6-Hydroxy-5-methylnicotinic acid ethyl ester
    • 6-hydroxy-5-methyl-nicotinic acid ethyl ester
    • CS-0151708
    • AKOS022173937
    • AS-69558
    • DTXSID40514833
    • A903956
    • C76762
    • 85614-89-7
    • SCHEMBL990880
    • SCHEMBL20661372
    • DB-157835
    • MDL: MFCD27665411
    • Inchi: 1S/C9H11NO3/c1-3-13-9(12)7-4-6(2)8(11)10-5-7/h4-5H,3H2,1-2H3,(H,10,11)
    • InChI Key: JHCSTTZXOPMLAN-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CNC(C(C)=C1)=O)=O

Computed Properties

  • Exact Mass: 181.07389321g/mol
  • Monoisotopic Mass: 181.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 302
  • 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
  • Topological Polar Surface Area: 55.4
  • XLogP3: 0.5

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 367.7±37.0 °C at 760 mmHg
  • Flash Point: 176.2±26.5 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Ethyl 5-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate Security Information

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