Cas no 608515-59-9 (Isoquinoline, 6,8-difluoro-3-methyl-)

6,8-Difluoro-3-methylisoquinoline is a fluorinated isoquinoline derivative characterized by its unique structural and electronic properties. The presence of fluorine atoms at the 6 and 8 positions enhances its reactivity and stability, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The methyl group at the 3 position further modifies its steric and electronic profile, facilitating selective functionalization. This compound is particularly useful in the development of bioactive molecules due to its ability to influence binding affinity and metabolic stability. Its high purity and well-defined structure ensure consistent performance in research and industrial applications.
Isoquinoline, 6,8-difluoro-3-methyl- structure
608515-59-9 structure
Product Name:Isoquinoline, 6,8-difluoro-3-methyl-
CAS No:608515-59-9
MF:C10H7F2N
MW:179.166089296341
CID:4063566
PubChem ID:69159331
Update Time:2025-10-25

Isoquinoline, 6,8-difluoro-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 6,8-difluoro-3-methyl-
    • 6,8-difluoro-3-methylisoquinoline
    • SCHEMBL4718458
    • ZFOUIWXQQHXFGO-UHFFFAOYSA-N
    • 608515-59-9
    • SY362492
    • MFCD22627971
    • Inchi： 1S/C10H7F2N/c1-6-2-7-3-8(11)4-10(12)9(7)5-13-6/h2-5H,1H3
    • InChI Key： ZFOUIWXQQHXFGO-UHFFFAOYSA-N
    • SMILES： C1C2=C(C=C(F)C=C2F)C=C(C)N=1

Computed Properties

  • Exact Mass: 179.05465555Da
  • Monoisotopic Mass: 179.05465555Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 186
  • 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: 2.7
  • Topological Polar Surface Area: 12.9?2

Isoquinoline, 6,8-difluoro-3-methyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
BBV-49325146-1.0g
6,8-difluoro-3-methylisoquinoline
 608515-59-9 95%
1.0g
 $0.0 2023-01-30

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