Cas no 54629-11-7 (3-Pyridinecarboxylic acid, 2-(3-chlorophenoxy)-)

3-Pyridinecarboxylic acid, 2-(3-chlorophenoxy)- structure
54629-11-7 structure
Product Name:3-Pyridinecarboxylic acid, 2-(3-chlorophenoxy)-
CAS No:54629-11-7
MF:C12H8ClNO3
MW:249.649822235107
CID:1590146
PubChem ID:12202641
Update Time:2025-04-21

3-Pyridinecarboxylic acid, 2-(3-chlorophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylic acid, 2-(3-chlorophenoxy)-
    • 2-(3-chlorophenoxy)nicotinic acid
    • 2-(3-chloro-phenoxy)-nicotinic acid
    • AKOS000141192
    • 2-(3-Chlorophenoxy)pyridine-3-carboxylic acid
    • SCHEMBL2332693
    • 54629-11-7
    • 2-(3-chlorophenoxy) nicotinic acid
    • 2(3-chlorophenoxy)nicotinic acid
    • DB-121602
    • Inchi: 1S/C12H8ClNO3/c13-8-3-1-4-9(7-8)17-11-10(12(15)16)5-2-6-14-11/h1-7H,(H,15,16)
    • InChI Key: ZZJPVCGMAKVSHU-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)OC1C(C(=O)O)=CC=CN=1

Computed Properties

  • Exact Mass: 249.01934
  • Monoisotopic Mass: 249.0192708g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 275
  • 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: 59.4?2

Experimental Properties

  • PSA: 59.42
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