Cas no 918488-41-2 (5-chloro-6-Isoquinolinol)

5-Chloro-6-isoquinolinol is a halogenated isoquinoline derivative with notable applications in medicinal chemistry and organic synthesis. This compound features a chloro substituent at the 5-position and a hydroxyl group at the 6-position of the isoquinoline scaffold, enhancing its reactivity and potential as a versatile intermediate. Its structural properties make it valuable for constructing pharmacologically active molecules, particularly in the development of kinase inhibitors and antimicrobial agents. The presence of both electron-withdrawing (chloro) and electron-donating (hydroxyl) groups contributes to its unique electronic profile, facilitating selective chemical modifications. High purity grades are available for research use, ensuring reproducibility in synthetic applications. Its stability under standard conditions further supports its utility in laboratory settings.
5-chloro-6-Isoquinolinol structure
5-chloro-6-Isoquinolinol structure
Product Name:5-chloro-6-Isoquinolinol
CAS No:918488-41-2
MF:C9H6ClNO
MW:179.603041172028
MDL:MFCD18822559
CID:997574
PubChem ID:135742183
Update Time:2025-07-02

5-chloro-6-Isoquinolinol Chemical and Physical Properties

Names and Identifiers

    • 5-chloro-6-Isoquinolinol
    • 5-chloro-2H-isoquinolin-6-one
    • 6-Isoquinolinol, 5-chloro-
    • BS-51028
    • 918488-41-2
    • 5-chloro-6-hydroxyisoquinoline
    • 5-Chloroisoquinolin-6(2H)-one
    • DTXSID90668956
    • SCHEMBL1706043
    • C16711
    • 5-Chloroisoquinolin-6-ol
    • CS-0199490
    • 5-Chloroisoquinoline-6-ol
    • ALTPGTZNQQAMJI-UHFFFAOYSA-N
    • FT-0752343
    • DA-37469
    • MDL: MFCD18822559
    • Inchi: 1S/C9H6ClNO/c10-9-7-3-4-11-5-6(7)1-2-8(9)12/h1-5,12H
    • InChI Key: ALTPGTZNQQAMJI-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC2C=NC=CC=21)O

Computed Properties

  • Exact Mass: 179.0137915g/mol
  • Monoisotopic Mass: 179.0137915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 165
  • 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: 2.4
  • Topological Polar Surface Area: 33.1?2

5-chloro-6-Isoquinolinol Pricemore >>

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