Cas no 142603-90-5 (5-Pyrimidinecarboxylicacid, 2-(4-hydroxyphenyl)-)

5-Pyrimidinecarboxylic acid, 2-(4-hydroxyphenyl)-, is a heterocyclic compound featuring a pyrimidine core substituted with a carboxylic acid group at the 5-position and a 4-hydroxyphenyl moiety at the 2-position. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical synthesis. The presence of both carboxylic acid and phenolic hydroxyl groups enhances its versatility as a building block for further functionalization. Its aromatic and heterocyclic framework contributes to stability and compatibility with various synthetic routes. The compound is particularly valued in medicinal chemistry for its potential as an intermediate in the development of bioactive molecules, owing to its ability to participate in hydrogen bonding and metal coordination.
5-Pyrimidinecarboxylicacid, 2-(4-hydroxyphenyl)- structure
142603-90-5 structure
Product Name:5-Pyrimidinecarboxylicacid, 2-(4-hydroxyphenyl)-
CAS No:142603-90-5
MF:C11H8N2O3
MW:216.19282245636
CID:100999
PubChem ID:135574114
Update Time:2025-06-09

5-Pyrimidinecarboxylicacid, 2-(4-hydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarboxylicacid, 2-(4-hydroxyphenyl)-
    • 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrimidine-5-carboxylic acid
    • 2-(4'-Hydroxyphenyl)pyrimidine-5-carboxylic acid
    • 2-(4-HYDROXYPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID
    • 5-Pyrimidinecarboxylic acid, 2-(4-hydroxyphenyl)- (9CI)
    • ACMC-20n1mj
    • AG-D-84341
    • CTK0G9680
    • KB-198528
    • SureCN3220155
    • SB59229
    • DTXSID60632664
    • 2-(4-HYDROXYPHENYL)PYRIMIDINE-5-CARBOXYLICACID
    • 5-pyrimidinecarboxylic acid,2-(4-hydroxyphenyl)-
    • SCHEMBL3220155
    • 142603-90-5
    • 2-(4-Oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrimidine-5-carboxylic acid
    • MDL： MFCD18822032
    • Inchi： 1S/C11H8N2O3/c14-9-3-1-7(2-4-9)10-12-5-8(6-13-10)11(15)16/h1-6,14H,(H,15,16)
    • InChI Key： KSKQVBAUECLKGR-UHFFFAOYSA-N
    • SMILES： OC1C=CC(=CC=1)C1N=CC(C(=O)O)=CN=1

Computed Properties

  • Exact Mass: 216.05354
  • Monoisotopic Mass: 216.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 244
  • 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
  • Topological Polar Surface Area: 83.3?2

Experimental Properties

  • PSA: 83.31

5-Pyrimidinecarboxylicacid, 2-(4-hydroxyphenyl)- Pricemore >>

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