Cas no 954226-91-6 (Ethyl 2-(pyridin-2-yl)pyrimidine-5-carboxylate)

Ethyl 2-(pyridin-2-yl)pyrimidine-5-carboxylate is a heterocyclic compound featuring a pyrimidine core substituted with a pyridine moiety and an ethyl ester functional group. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research, where it serves as a key intermediate for the development of bioactive molecules. The pyridine and pyrimidine rings contribute to its potential as a ligand in coordination chemistry or as a scaffold for drug design. The ethyl ester group enhances solubility in organic solvents, facilitating further derivatization. Its well-defined reactivity profile makes it valuable for constructing complex heterocyclic systems with precision.
Ethyl 2-(pyridin-2-yl)pyrimidine-5-carboxylate structure
954226-91-6 structure
Product Name:Ethyl 2-(pyridin-2-yl)pyrimidine-5-carboxylate
CAS No:954226-91-6
MF:C12H11N3O2
MW:229.234642267227
CID:2625115
PubChem ID:24903631
Update Time:2025-06-09

Ethyl 2-(pyridin-2-yl)pyrimidine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-pyridin-2-ylpyrimidine-5-carboxylate
    • 954226-91-6
    • Ethyl2-(pyridin-2-yl)pyrimidine-5-carboxylate
    • DTXSID20647956
    • SB60355
    • Ethyl 2-(pyridin-2-yl)pyrimidine-5-carboxylate
    • MDL： MFCD09863208
    • Inchi： 1S/C12H11N3O2/c1-2-17-12(16)9-7-14-11(15-8-9)10-5-3-4-6-13-10/h3-8H,2H2,1H3
    • InChI Key： BGVITIUQTZDXBM-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C=NC(C2C=CC=CN=2)=NC=1)=O

Computed Properties

  • Exact Mass: 229.085126602Da
  • Monoisotopic Mass: 229.085126602Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 252
  • 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: 65?2

Ethyl 2-(pyridin-2-yl)pyrimidine-5-carboxylate Pricemore >>

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