Cas no 99568-12-4 (1,4-Bis(6-carboxypyridin-3-yl)benzene)

1,4-Bis(6-carboxypyridin-3-yl)benzene structure
99568-12-4 structure
Product Name:1,4-Bis(6-carboxypyridin-3-yl)benzene
CAS No:99568-12-4
MF:C10H7NO2S
MW:205.233081102371
MDL:MFCD16305940
CID:1002909
PubChem ID:20206708
Update Time:2025-04-20

1,4-Bis(6-carboxypyridin-3-yl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1,4-Bis(6-carboxypyridin-3-yl)benzene
    • 5-[4-(6-carboxypyridin-3-yl)phenyl]pyridine-2-carboxylic acid
    • EN300-5071447
    • 5-(Thiophen-2-yl)picolinic acid
    • 99568-12-4
    • 5-thiophen-2-ylpyridine-2-carboxylic acid
    • FT-0716440
    • MFCD16305940
    • 5-(thiophen-2-yl)pyridine-2-carboxylic acid
    • SCHEMBL10722440
    • AKOS012258610
    • DA-19949
    • MDL: MFCD16305940
    • Inchi: 1S/C10H7NO2S/c12-10(13)8-4-3-7(6-11-8)9-2-1-5-14-9/h1-6H,(H,12,13)
    • InChI Key: SWZKIXNHZZCQOK-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C1C=NC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 320.08000
  • Monoisotopic Mass: 205.01974964g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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: 2.1
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • PSA: 100.38000
  • LogP: 3.20700

1,4-Bis(6-carboxypyridin-3-yl)benzene Pricemore >>

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