Cas no 1196153-13-5 (diethyl 2-chloropyridine-3,5-dicarboxylate)

diethyl 2-chloropyridine-3,5-dicarboxylate structure
1196153-13-5 structure
Product Name:diethyl 2-chloropyridine-3,5-dicarboxylate
CAS No:1196153-13-5
MF:C11H12ClNO4
MW:257.670282363892
CID:2616545
PubChem ID:72212395
Update Time:2025-04-21

diethyl 2-chloropyridine-3,5-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • diethyl 2-chloropyridine-3,5-dicarboxylate
    • C11H12ClNO4
    • AB68753
    • 1196153-13-5
    • Inchi: 1S/C11H12ClNO4/c1-3-16-10(14)7-5-8(9(12)13-6-7)11(15)17-4-2/h5-6H,3-4H2,1-2H3
    • InChI Key: WIIFLBXXWDMXJS-UHFFFAOYSA-N
    • SMILES: ClC1C(C(=O)OCC)=CC(C(=O)OCC)=CN=1

Computed Properties

  • Exact Mass: 257.0454856Da
  • Monoisotopic Mass: 257.0454856Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 285
  • 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: 2.3
  • Topological Polar Surface Area: 65.5?2

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