Cas no 1188265-81-7 (ethyl 2-chloro-5-(trifluoromethyl)nicotinate)

ethyl 2-chloro-5-(trifluoromethyl)nicotinate structure
1188265-81-7 structure
Product Name:ethyl 2-chloro-5-(trifluoromethyl)nicotinate
CAS No:1188265-81-7
MF:C9H7ClF3NO2
MW:253.605592012405
CID:2131239
PubChem ID:19792022
Update Time:2025-04-21

ethyl 2-chloro-5-(trifluoromethyl)nicotinate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-chloro-5-(trifluoromethyl)nicotinate
    • 3-Pyridinecarboxylic acid, 2-chloro-5-(trifluoroMethyl)-, ethyl ester
    • ethyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate
    • AKOS015968889
    • ETHYL2-CHLORO-5-(TRIFLUOROMETHYL)NICOTINATE
    • DB-360378
    • HXAYJDFYSKQJBU-UHFFFAOYSA-N
    • 1188265-81-7
    • SCHEMBL9589081
    • Inchi: 1S/C9H7ClF3NO2/c1-2-16-8(15)6-3-5(9(11,12)13)4-14-7(6)10/h3-4H,2H2,1H3
    • InChI Key: HXAYJDFYSKQJBU-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)OCC)C=C(C=N1)C(F)(F)F

Computed Properties

  • Exact Mass: 253.0117406g/mol
  • Monoisotopic Mass: 253.0117406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 260
  • 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: 2.9
  • Topological Polar Surface Area: 39.2?2

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