Cas no 953409-99-9 (5-Bromo-1H-indazole-7-carboxylic acid)

5-Bromo-1H-indazole-7-carboxylic acid structure
953409-99-9 structure
Product Name:5-Bromo-1H-indazole-7-carboxylic acid
CAS No:953409-99-9
MF:C8H5BrN2O2
MW:241.041500806808
MDL:MFCD13177019
CID:1074904
PubChem ID:53408101
Update Time:2025-11-06

5-Bromo-1H-indazole-7-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-1H-indazole-7-carboxylic acid
    • 1H-Indazole-7-carboxylicacid,5-broMo-
    • 5-Bromo-1H-indazole-7-carboxylic acid (ACI)
    • SY035922
    • SCHEMBL4501756
    • DTXSID50696179
    • 5-Bromo-1H-indazole-7-carboxylicAcid
    • SCHEMBL25204244
    • EN300-3080658
    • HBCUQNYHXNSYGH-UHFFFAOYSA-N
    • AS-8601
    • AC-29555
    • DA-17400
    • AKOS023808239
    • CS-0038921
    • Z1269126743
    • 953409-99-9
    • P11591
    • PB20772
    • MFCD13177019
    • 5-bromo-2H-indazole-7-carboxylic acid
    • MDL: MFCD13177019
    • Inchi: 1S/C8H5BrN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
    • InChI Key: HBCUQNYHXNSYGH-UHFFFAOYSA-N
    • SMILES: O=C(C1C2=C(C=NN2)C=C(Br)C=1)O

Computed Properties

  • Exact Mass: 239.95344g/mol
  • Monoisotopic Mass: 239.95344g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 224
  • 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: 2.2
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • Density: 1.946±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 486.9±30.0℃ at 760 mmHg
  • Solubility: Very slightly soluble (0.46 g/l) (25 o C),

5-Bromo-1H-indazole-7-carboxylic acid Pricemore >>

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5-Bromo-1H-indazole-7-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ,  Water ;  0 °C; 2 d, rt
Reference
Preparation of (hetero)aroyl spiroketones as acetyl-CoA carboxylase inhibitors for treatment of obesity.
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  4 h, rt → 50 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2
Reference
Preparation of indazole derivatives as selective JAK1 (janus kinase 1) inhibitors
, Korea, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ,  Tetrahydrofuran ,  Water ;  16 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Orally Bioavailable Enzymatic Inhibitor of CD38, MK-0159, Protects against Ischemia/Reperfusion Injury in the Murine Heart
Lagu, Bharat; Wu, Xinyuan; Kulkarni, Santosh; Paul, Rakesh; Becherer, J. David; et al, Journal of Medicinal Chemistry, 2022, 65(13), 9418-9446

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium carbonate Solvents: 1,4-Dioxane ,  Water ;  1 h, 25 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 3
Reference
Preparation of indazole compounds that inhibit one or more receptor, or non-receptor, tyrosine or serine/threonine kinase
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5-Bromo-1H-indazole-7-carboxylic acid Raw materials

5-Bromo-1H-indazole-7-carboxylic acid Preparation Products

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