Cas no 1072946-59-8 (2-Carboxypyridine-4-boronic Acid)

2-Carboxypyridine-4-boronic acid is a versatile boronic acid derivative featuring both a carboxylic acid and a boronic acid functional group on a pyridine scaffold. This bifunctional structure makes it a valuable building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, where the boronic acid group facilitates efficient carbon-carbon bond formation. The carboxylic acid moiety further enhances its utility by enabling additional derivatization or coordination with metal catalysts. Its stability and reactivity under mild conditions make it suitable for pharmaceutical and materials science applications. The compound is often employed in the synthesis of heterocyclic compounds, ligands, and functionalized aromatic systems.
2-Carboxypyridine-4-boronic Acid structure
1072946-59-8 structure
Product Name:2-Carboxypyridine-4-boronic Acid
CAS No:1072946-59-8
MF:C6H6BNO4
MW:166.927141666412
MDL:MFCD11504842
CID:829011
PubChem ID:23546922
Update Time:2025-06-08

2-Carboxypyridine-4-boronic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Boronopicolinic acid
    • 2-Carboxypyridine-4-boronic acid
    • 4-borono-2-Pyridinecarboxylic acid
    • 4-boronopyridine-2-carboxylic acid
    • SCHEMBL12235271
    • DTXSID70634896
    • AT14615
    • 4-Boronopicolinicacid
    • BS-23210
    • 4-(DIHYDROXYBORANYL)PYRIDINE-2-CARBOXYLIC ACID
    • MFCD11504842
    • SY345854
    • 1072946-59-8
    • DB-059608
    • XSB94659
    • CS-0130751
    • SB53668
    • AKOS006325240
    • 2-Carboxypyridine-4-boronic Acid
    • MDL: MFCD11504842
    • Inchi: 1S/C6H6BNO4/c9-6(10)5-3-4(7(11)12)1-2-8-5/h1-3,11-12H,(H,9,10)
    • InChI Key: JWKBLCPJNBCIIR-UHFFFAOYSA-N
    • SMILES: OB(C1C=CN=C(C(=O)O)C=1)O

Computed Properties

  • Exact Mass: 167.03900
  • Monoisotopic Mass: 167.0389878g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 175
  • 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
  • Topological Polar Surface Area: 90.6?2

Experimental Properties

  • Density: 1.50±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Dissolution (63 g/l) (25 o C),
  • PSA: 90.65000
  • LogP: -1.54040

2-Carboxypyridine-4-boronic Acid Security Information

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