Cas no 944904-38-5 (7-Fluoro-3-iodo-1H-indazole)

7-Fluoro-3-iodo-1H-indazole structure
7-Fluoro-3-iodo-1H-indazole structure
Product Name:7-Fluoro-3-iodo-1H-indazole
CAS No:944904-38-5
MF:C7H4FIN2
MW:262.022936820984
MDL:MFCD10696806
CID:1027715
PubChem ID:53408492
Update Time:2024-10-25

7-Fluoro-3-iodo-1H-indazole Chemical and Physical Properties

Names and Identifiers

    • 7-Fluoro-3-iodo-1H-indazole
    • 7-fluoro-3-iodo-2H-indazole
    • 7-Fluoro-3-iodoindazole
    • 1H-Indazole, 7-fluoro-3-iodo-
    • NZLJQLITHWOQBC-UHFFFAOYSA-N
    • FCH1400949
    • AB58221
    • AX8168577
    • Y5677
    • 7-Fluoro-3-iodo-1H-indazole (ACI)
    • 944904-38-5
    • SY037467
    • DTXSID10696312
    • J-519250
    • SCHEMBL14158301
    • P10935
    • AKOS015950376
    • CS-0050028
    • DA-35654
    • MFCD10696806
    • EN300-6775533
    • AS-50710
    • MDL: MFCD10696806
    • Inchi: 1S/C7H4FIN2/c8-5-3-1-2-4-6(5)10-11-7(4)9/h1-3H,(H,10,11)
    • InChI Key: NZLJQLITHWOQBC-UHFFFAOYSA-N
    • SMILES: FC1C2=C(C(=NN2)I)C=CC=1

Computed Properties

  • Exact Mass: 261.94000
  • Monoisotopic Mass: 261.94032g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 155
  • 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
  • Topological Polar Surface Area: 28.7
  • XLogP3: 2.3

Experimental Properties

  • PSA: 28.68000
  • LogP: 2.30660

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7-Fluoro-3-iodo-1H-indazole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Boron trifluoride etherate ,  Isoamyl nitrite Solvents: Tetrahydrofuran ;  0 °C; -10 °C; 30 min, -10 °C
1.2 Reagents: Sodium iodide Solvents: Acetone ;  0 °C; 30 min, rt
Reference
Fluorine-substituted indazole compounds as soluble guanylate cyclase inhibitors and their preparation
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium hydroxide ,  Iodine Solvents: Dimethylformamide ;  20 min, 50 °C
1.2 Reagents: Sodium bisulfite Solvents: Water ;  2 h, rt
Reference
Indazole and pyrrolopyridine derivatives as serotonin-4 receptor agonists and their preparation and pharmaceutical use thereof
, Japan, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium hydroxide ,  Iodine Solvents: Dimethylformamide ;  0 °C; 1 h, 25 °C
Reference
Preparation of fused heteroaryl compounds for treatment of tauopathies
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium hydroxide ,  Iodine Solvents: Dimethylformamide ;  1 h, rt
Reference
Preparation of heterocycle compounds for the treatment of allergic disease
, Japan, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium hydroxide ,  Iodine Solvents: Dimethylformamide ;  1 h, rt
Reference
Preparation of heterocyclic compounds having PGD2 receptor antagonist activity
, World Intellectual Property Organization, , ,

7-Fluoro-3-iodo-1H-indazole Raw materials

7-Fluoro-3-iodo-1H-indazole Preparation Products

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