Cas no 797788-36-4 (5-bromo-8-methoxy-1,6-Naphthyridine-7-carboxylic acid)

5-bromo-8-methoxy-1,6-Naphthyridine-7-carboxylic acid structure
797788-36-4 structure
Product Name:5-bromo-8-methoxy-1,6-Naphthyridine-7-carboxylic acid
CAS No:797788-36-4
MF:C10H7BrN2O3
MW:283.078181505203
CID:2114930
Update Time:2023-11-18

5-bromo-8-methoxy-1,6-Naphthyridine-7-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-8-methoxy-1,6-Naphthyridine-7-carboxylic acid
    • NMJSECDAYKQFDD-UHFFFAOYSA-N
    • 5-bromo-8-methoxy[1,6]naphthyridine-7-carboxylic acid
    • CID 86613120
    • 1,6-Naphthyridine-7-carboxylic acid, 5-bromo-8-methoxy-
    • Inchi: 1S/C10H7BrN2O3/c1-16-8-6-5(3-2-4-12-6)9(11)13-7(8)10(14)15/h2-4H,1H3,(H,14,15)
    • InChI Key: NMJSECDAYKQFDD-UHFFFAOYSA-N
    • SMILES: BrC1C2=CC=CN=C2C(=C(C(=O)O)N=1)OC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 277
  • Topological Polar Surface Area: 72.3

Experimental Properties

  • Density: 1.739±0.06 g/cm3(Predicted)
  • Boiling Point: 454.6±45.0 °C(Predicted)
  • pka: 2.48±0.30(Predicted)
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