Cas no 566198-34-3 (5-(3-formylphenyl)pyridine-3-carboxylic acid)

5-(3-formylphenyl)pyridine-3-carboxylic acid structure
566198-34-3 structure
Product Name:5-(3-formylphenyl)pyridine-3-carboxylic acid
CAS No:566198-34-3
MF:C13H9NO3
MW:227.215463399887
MDL:MFCD06802756
CID:945672
PubChem ID:12028313
Update Time:2025-04-19

5-(3-formylphenyl)pyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Methoxycarbonylpyridin-3-yl)benzaldehyde
    • methyl 3-(3-formylphenyl)pyridine-4-carboxylate
    • 3-(4-METHOXYCARBONYL(PYRIDIN-3-YL))BENZALDEHYDE
    • 5-(3-formylphenyl)pyridine-3-carboxylic acid
    • NCGC00374171-01
    • Z2805881179
    • 566198-34-3
    • SCHEMBL15333261
    • MFCD06802756
    • EN300-24412352
    • AKOS004118653
    • 5-(3-Formylphenyl)nicotinic acid
    • MDL: MFCD06802756
    • Inchi: 1S/C13H9NO3/c15-8-9-2-1-3-10(4-9)11-5-12(13(16)17)7-14-6-11/h1-8H,(H,16,17)
    • InChI Key: LOXLHDCJOSUCHZ-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=CC(=C1)C1C=CC=C(C=O)C=1)=O

Computed Properties

  • Exact Mass: 241.07400
  • Monoisotopic Mass: 227.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 292
  • 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: 1.5
  • Topological Polar Surface Area: 67.3?2

Experimental Properties

  • PSA: 56.26000
  • LogP: 2.34770

5-(3-formylphenyl)pyridine-3-carboxylic acid Pricemore >>

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