Cas no 1520352-59-3 (2-Pyridin-4-ylspiro[3.3]heptane-2-carboxylic acid)

2-Pyridin-4-ylspiro[3.3]heptane-2-carboxylic acid is a structurally unique spirocyclic compound featuring a pyridine moiety fused with a spiro[3.3]heptane core. Its rigid spiro architecture enhances conformational stability, making it valuable in medicinal chemistry for designing selective ligands or enzyme inhibitors. The carboxylic acid group provides a versatile handle for further derivatization, enabling covalent conjugation or salt formation to improve solubility. The pyridine ring offers potential for hydrogen bonding or metal coordination, broadening its applicability in catalysis or supramolecular chemistry. This compound's balanced lipophilicity and polarity, derived from its hybrid structure, may contribute to favorable pharmacokinetic properties in drug discovery. Its synthetic accessibility from commercially available building blocks further enhances its utility as a scaffold in organic synthesis.
2-Pyridin-4-ylspiro[3.3]heptane-2-carboxylic acid structure
1520352-59-3 structure
Product Name:2-Pyridin-4-ylspiro[3.3]heptane-2-carboxylic acid
CAS No:1520352-59-3
MF:C13H15NO2
MW:217.263703584671
CID:5252379
Update Time:2025-07-02

2-Pyridin-4-ylspiro[3.3]heptane-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(pyridin-4-yl)spiro[3.3]heptane-2-carboxylic acid
    • 2-Pyridin-4-ylspiro[3.3]heptane-2-carboxylic acid
    • Inchi: 1S/C13H15NO2/c15-11(16)13(10-2-6-14-7-3-10)8-12(9-13)4-1-5-12/h2-3,6-7H,1,4-5,8-9H2,(H,15,16)
    • InChI Key: DBICNQMZRQSCLP-UHFFFAOYSA-N
    • SMILES: OC(C1(C2C=CN=CC=2)CC2(CCC2)C1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 295
  • XLogP3: 2.2
  • Topological Polar Surface Area: 50.2

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