Cas no 906000-39-3 (3-Iodo-1H-indazole-6-carbonitrile)

3-Iodo-1H-indazole-6-carbonitrile structure
906000-39-3 structure
Product Name:3-Iodo-1H-indazole-6-carbonitrile
CAS No:906000-39-3
MF:C8H4IN3
MW:269.041933059692
MDL:MFCD10696802
CID:994973
PubChem ID:53399261
Update Time:2025-09-27

3-Iodo-1H-indazole-6-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Iodo-1H-indazole-6-carbonitrile
    • 1H-Indazole-6-carbonitrile, 3-iodo-
    • 3-iodo-2H-indazole-6-carbonitrile
    • 3-Iodo-6-cyano (1H)indazole
    • 3-IODO-INDAZOLE-6-CARBONITRILE
    • 6-cyano-3-iodo-1H-indazole
    • 3-Iodo-1H-indazole-6-carbonitrile (ACI)
    • 3-Iodoindazole-6-carbonitrile
    • EN300-3168560
    • FRYOUXROKRKPQP-UHFFFAOYSA-N
    • SCHEMBL4155921
    • 906000-39-3
    • AB58208
    • MFCD10696802
    • DTXSID50694599
    • J-512672
    • CS-0054303
    • MDL: MFCD10696802
    • Inchi: 1S/C8H4IN3/c9-8-6-2-1-5(4-10)3-7(6)11-12-8/h1-3H,(H,11,12)
    • InChI Key: FRYOUXROKRKPQP-UHFFFAOYSA-N
    • SMILES: N#CC1C=C2C(C(=NN2)I)=CC=1

Computed Properties

  • Exact Mass: 268.94500
  • Monoisotopic Mass: 268.94499g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 222
  • 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
  • Topological Polar Surface Area: 52.5?2

Experimental Properties

  • PSA: 52.47000
  • LogP: 2.03918

3-Iodo-1H-indazole-6-carbonitrile Pricemore >>

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3-Iodo-1H-indazole-6-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide ,  Iodine Solvents: Dimethylformamide ;  0 °C; 4 h, rt
1.2 Reagents: Sodium thiosulfate Solvents: Water ;  rt
Reference
Identification of novel inhibitors of Aurora A with a 3-(pyrrolopyridin-2-yl)indazole scaffold
Song, Pinrao; Chen, Ming; Ma, Xiaodong; Xu, Lei; Liu, Tao; et al, Bioorganic & Medicinal Chemistry, 2015, 23(8), 1858-1868

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium hydroxide ,  Iodine Solvents: Dimethylformamide ;  1 h, rt
Reference
Synthesis of 3-indazolecarboxylic esters and amides via Pd-catalyzed carbonylation of 3-iodoindazoles
Buchstaller, Hans-Peter; Wilkinson, Kai; Burek, Kasimir; Nisar, Yasmin, Synthesis, 2011, (19), 3089-3098

3-Iodo-1H-indazole-6-carbonitrile Raw materials

3-Iodo-1H-indazole-6-carbonitrile Preparation Products

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