Cas no 885271-90-9 (6-(trifluoromethyl)-1H-indazole-3-carbaldehyde)

6-(trifluoromethyl)-1H-indazole-3-carbaldehyde structure
885271-90-9 structure
Product Name:6-(trifluoromethyl)-1H-indazole-3-carbaldehyde
CAS No:885271-90-9
MF:C9H5F3N2O
MW:214.144012212753
MDL:MFCD06739121
CID:710858
PubChem ID:24729230
Update Time:2024-10-26

6-(trifluoromethyl)-1H-indazole-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole-3-carboxaldehyde,6-(trifluoromethyl)-
    • 6-(trifluoromethyl)-2H-indazole-3-carbaldehyde
    • 6-Trifluoromethyl-1H-indazole-3-carbaldehyde
    • 1H-Indazole-3-carboxaldehyde,6-(trifluoromethyl)
    • 6-(Trifluoromethyl)-1H-indazole-3-carbaldehyde
    • 6-(Trifluoromethyl)-3-indazole carboxaldehyde
    • 6-Trifluoromethyl-1H-indazole-3-carboxaldehyde
    • 6-(Trifluoromethyl)-1H-indazole-3-carboxaldehyde (ACI)
    • DTXSID20646641
    • 6-(Trifluoromethyl)indazole-3-carbaldehyde
    • MFCD06739121
    • AS-49398
    • SY259811
    • CS-0131082
    • 6-(Trifluoromethyl)1H-indazole-3-carbaldehyde
    • DB-077409
    • I10033
    • 885271-90-9
    • AKOS024260654
    • AB28645
    • 6-(trifluoromethyl)-1H-indazole-3-carbaldehyde
    • MDL： MFCD06739121
    • Inchi： 1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)13-14-8(6)4-15/h1-4H,(H,13,14)
    • InChI Key： KWWVGVOHIZTSLE-UHFFFAOYSA-N
    • SMILES： O=CC1C2C(=CC(C(F)(F)F)=CC=2)NN=1

Computed Properties

  • Exact Mass: 214.03500
  • Monoisotopic Mass: 214.03539727g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 256
  • 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: 45.8?2

Experimental Properties

  • PSA: 45.75000
  • LogP: 2.39420

6-(trifluoromethyl)-1H-indazole-3-carbaldehyde Pricemore >>

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6-(trifluoromethyl)-1H-indazole-3-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrochloric acid Solvents: Dimethylformamide ,  Water ;  10 min, 0 °C
1.2 Solvents: Dimethylformamide ;  2 h; 0 °C
Reference
Discovery of Novel Indazoles as Potent and Selective PI3Kδ Inhibitors with High Efficacy for Treatment of Hepatocellular Carcinoma
Qi, Jifeng; Wang, Weihua; Tang, Yongmei; Lou, Shengying; Wang, Jiaer; et al, Journal of Medicinal Chemistry, 2022, 65(5), 3849-3865

6-(trifluoromethyl)-1H-indazole-3-carbaldehyde Raw materials

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6-(trifluoromethyl)-1H-indazole-3-carbaldehyde Related Literature

885271-90-9 (6-(trifluoromethyl)-1H-indazole-3-carbaldehyde) Related Products

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