Cas no 891785-30-1 (6-Bromo-3-fluoroisoquinoline)

6-Bromo-3-fluoroisoquinoline structure
6-Bromo-3-fluoroisoquinoline structure
Product Name:6-Bromo-3-fluoroisoquinoline
CAS No:891785-30-1
MF:C9H5BrFN
MW:226.04510474205
MDL:MFCD21603999
CID:1026757
PubChem ID:58488294
Update Time:2024-10-26

6-Bromo-3-fluoroisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 6-Bromo-3-fluoroisoquinoline
    • 3-fluoro-6-bromoisoquinoline
    • 6-Bromo-3-fluoroisoquinoline (ACI)
    • SCHEMBL1519794
    • MFCD21603999
    • CS-0103306
    • 6-bromo-3-fluoro isoquinoline
    • TQR1011
    • WOIZAXDBPZEAHP-UHFFFAOYSA-N
    • SY259153
    • SB12841
    • DB-369115
    • AS-42919
    • DTXSID10729331
    • AKOS016005927
    • 6-Bromo-3-fluoro-2-azanaphthalene
    • 891785-30-1
    • MDL: MFCD21603999
    • Inchi: 1S/C9H5BrFN/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H
    • InChI Key: WOIZAXDBPZEAHP-UHFFFAOYSA-N
    • SMILES: FC1C=C2C(C=CC(=C2)Br)=CN=1

Computed Properties

  • Exact Mass: 224.95894g/mol
  • Monoisotopic Mass: 224.95894g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • 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: 3.2
  • Topological Polar Surface Area: 12.9?2

6-Bromo-3-fluoroisoquinoline Pricemore >>

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6-Bromo-3-fluoroisoquinoline Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Pyridine, hydrofluoride (1:1) Solvents: Water ;  0 °C; > 0 °C; 1.5 h, 0 °C → rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  rt
Reference
Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3)
Kaniskan, H. Umit; Eram, Mohammad S.; Zhao, Kehao; Szewczyk, Magdalena M.; Yang, Xiaobao; et al, Journal of Medicinal Chemistry, 2018, 61(3), 1204-1217

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium nitrite
1.2 Reagents: Hydrofluoric acid Solvents: Pyridine
Reference
Isoquinoline-pyridine-based protein kinase B/Akt antagonists: SAR and in vivo antitumor activity
Zhu, Gui-Dong; Gong, Jianchun; Claiborne, Akiyo; Woods, Keith W.; Gandhi, Viraj B.; et al, Bioorganic & Medicinal Chemistry Letters, 2006, 16(12), 3150-3155

6-Bromo-3-fluoroisoquinoline Raw materials

6-Bromo-3-fluoroisoquinoline Preparation Products

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