Cas no 1454913-72-4 (Methyl 4-chloro-5-fluoronicotinate)

Methyl 4-chloro-5-fluoronicotinate is a fluorinated nicotinate derivative with significant utility in pharmaceutical and agrochemical synthesis. Its key structural features—a chloro-fluoro substitution pattern on the pyridine ring—enhance reactivity and selectivity in cross-coupling reactions, making it a valuable intermediate for constructing complex heterocyclic compounds. The ester group at the 3-position offers versatility for further functionalization, such as hydrolysis or amidation. This compound exhibits high purity and stability under standard storage conditions, ensuring reliable performance in synthetic applications. Its well-defined chemical properties make it particularly useful in medicinal chemistry for developing bioactive molecules, including kinase inhibitors and antimicrobial agents.
Methyl 4-chloro-5-fluoronicotinate structure
1454913-72-4 structure
Product Name:Methyl 4-chloro-5-fluoronicotinate
CAS No:1454913-72-4
MF:C7H5ClFNO2
MW:189.571504354477
CID:4802954
Update Time:2025-05-28

Methyl 4-chloro-5-fluoronicotinate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-chloro-5-fluoronicotinate
    • Methyl 4-chloro-5-fluoropyridine-3-carboxylate
    • Methyl 4-chloro-5-fluoronicotinate
    • Inchi: 1S/C7H5ClFNO2/c1-12-7(11)4-2-10-3-5(9)6(4)8/h2-3H,1H3
    • InChI Key: YABUXSHSEYDQJQ-UHFFFAOYSA-N
    • SMILES: ClC1C(=CN=CC=1C(=O)OC)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 179
  • XLogP3: 1.4
  • Topological Polar Surface Area: 39.2

Methyl 4-chloro-5-fluoronicotinate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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