Cas no 1210451-92-5 (Methyl 6-bromo-5-methylnicotinate)

Methyl 6-bromo-5-methylnicotinate is a brominated nicotinate ester derivative, primarily used as a versatile intermediate in organic synthesis and pharmaceutical research. Its key advantages include a stable ester group and a reactive bromine substituent, facilitating further functionalization through cross-coupling reactions such as Suzuki or Stille couplings. The methyl group at the 5-position enhances steric and electronic properties, making it valuable for constructing complex heterocyclic frameworks. This compound is particularly useful in medicinal chemistry for developing bioactive molecules due to its well-defined reactivity and compatibility with diverse reaction conditions. High purity and consistent quality ensure reliable performance in synthetic applications.
Methyl 6-bromo-5-methylnicotinate structure
1210451-92-5 structure
Product Name:Methyl 6-bromo-5-methylnicotinate
CAS No:1210451-92-5
MF:C8H8BrNO2
MW:230.058621406555
MDL:MFCD18258594
CID:1081552
Update Time:2025-10-14

Methyl 6-bromo-5-methylnicotinate Chemical and Physical Properties

Names and Identifiers

    • Methyl 6-bromo-5-methylnicotinate
    • methyl 6-bromo-5-methylpyridine-3-carboxylate
    • MDL: MFCD18258594
    • Inchi: 1S/C8H8BrNO2/c1-5-3-6(8(11)12-2)4-10-7(5)9/h3-4H,1-2H3
    • InChI Key: PZHHVEKWOYHXMK-UHFFFAOYSA-N
    • SMILES: BrC1C(C)=CC(C(=O)OC)=CN=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • Topological Polar Surface Area: 39.2

Experimental Properties

  • Density: 1.503±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (3.7 g/l) (25 o C),

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