Cas no 1445781-45-2 (Methyl 5-bromoquinoline-8-carboxylate)

Methyl 5-bromoquinoline-8-carboxylate is a brominated quinoline derivative serving as a versatile intermediate in organic synthesis and pharmaceutical research. Its key advantages include a stable ester functionality and a reactive bromine substituent, enabling further functionalization through cross-coupling reactions, nucleophilic substitutions, or metal-catalyzed transformations. The compound's rigid quinoline scaffold enhances its utility in constructing complex heterocyclic systems, particularly in medicinal chemistry for developing bioactive molecules. High purity and consistent quality ensure reliable performance in synthetic applications. Its structural features make it valuable for designing ligands, catalysts, or active pharmaceutical ingredients (APIs) with tailored properties.
Methyl 5-bromoquinoline-8-carboxylate structure
1445781-45-2 structure
Product Name:Methyl 5-bromoquinoline-8-carboxylate
CAS No:1445781-45-2
MF:C11H8BrNO2
MW:266.090722084045
MDL:MFCD19703294
CID:1035023
Update Time:2025-06-07

Methyl 5-bromoquinoline-8-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-bromoquinoline-8-carboxylate
    • IHRLTIQTMTVDGZ-UHFFFAOYSA-N
    • methyl-5-bromoquinoline-8-carboxylate
    • AX8219932
    • AB0058408
    • Z4165
    • ST24025422
    • 5-Bromo-quinoline-8-carboxylic acid methyl ester
    • 8-Quinolinecarboxylic acid, 5-bromo-, methyl ester
    • MDL: MFCD19703294
    • Inchi: 1S/C11H8BrNO2/c1-15-11(14)8-4-5-9(12)7-3-2-6-13-10(7)8/h2-6H,1H3
    • InChI Key: IHRLTIQTMTVDGZ-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(=O)OC)C2C1=CC=CN=2

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 247
  • Topological Polar Surface Area: 39.2

Methyl 5-bromoquinoline-8-carboxylate Security Information

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