Cas no 61704-29-8 (2-Pyridinecarboxaldehyde, 5-(4-chlorophenyl)-)

2-Pyridinecarboxaldehyde, 5-(4-chlorophenyl)- structure
61704-29-8 structure
Product Name:2-Pyridinecarboxaldehyde, 5-(4-chlorophenyl)-
CAS No:61704-29-8
MF:C12H8ClNO
MW:217.651021957397
CID:469345
PubChem ID:12367082
Update Time:2025-04-19

2-Pyridinecarboxaldehyde, 5-(4-chlorophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinecarboxaldehyde, 5-(4-chlorophenyl)-
    • 5-(4-chlorophenyl)picolinaldehyde
    • 5-(4-chlorophenyl)pyridine-2-carbaldehyde
    • QYNOGPUOQOCDLM-UHFFFAOYSA-N
    • SCHEMBL4005376
    • FT-0717893
    • DTXSID30494574
    • 5-(4-chloro-phenyl)-pyridine-2-carbaldehyde
    • 61704-29-8
    • Inchi: 1S/C12H8ClNO/c13-11-4-1-9(2-5-11)10-3-6-12(8-15)14-7-10/h1-8H
    • InChI Key: QYNOGPUOQOCDLM-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1C=NC(C=O)=CC=1

Computed Properties

  • Exact Mass: 217.02954
  • Monoisotopic Mass: 217.0294416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 214
  • 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: 30?2

Experimental Properties

  • PSA: 29.96
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