Cas no 954112-81-3 (5-chloro-1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile)

5-chloro-1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile structure
954112-81-3 structure
Product Name:5-chloro-1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile
CAS No:954112-81-3
MF:C8H4ClN3
MW:177.590459823608
MDL:MFCD12924366
CID:835118
PubChem ID:71721020
Update Time:2024-10-25

5-chloro-1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-chloro-1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile
    • 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONITRILE, 5-CHLORO-
    • 5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (ACI)
    • E80834
    • CS-0004614
    • DTXSID10856878
    • 954112-81-3
    • MDL: MFCD12924366
    • Inchi: 1S/C8H4ClN3/c9-6-1-7-5(2-10)3-11-8(7)12-4-6/h1,3-4H,(H,11,12)
    • InChI Key: MOEPFOSHMIGVPW-UHFFFAOYSA-N
    • SMILES: N#CC1C2C(=NC=C(C=2)Cl)NC=1

Computed Properties

  • Exact Mass: 177.0093748g/mol
  • Monoisotopic Mass: 177.0093748g/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: 1.7
  • Topological Polar Surface Area: 52.5?2

5-chloro-1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile Pricemore >>

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5-chloro-1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Acetic anhydride ;  4 h, reflux; reflux → rt
1.2 Solvents: Water ;  rt; 3 h, reflux; reflux → rt
Reference
Synthesis and antidiabetic activity of 2,5-disubstituted-3-imidazol-2-yl-pyrrolo[2,3-b]pyridines and thieno[2,3-b]pyridines
Bahekar, Rajesh H.; Jain, Mukul R.; Jadav, Pradip A.; Prajapati, Vijay M.; Patel, Dipam N.; et al, Bioorganic & Medicinal Chemistry, 2007, 15(21), 6782-6795

5-chloro-1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile Raw materials

5-chloro-1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile Preparation Products

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