Cas no 267875-39-8 (4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile)

4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is a heterocyclic organic compound featuring a fused pyrrole-pyridine core with a methyl substituent at the 4-position and a nitrile group at the 5-position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of biologically active molecules. Its rigid bicyclic framework and functional groups offer versatility in further derivatization, enabling applications in medicinal chemistry, such as kinase inhibitor research. The compound's high purity and stability ensure reliable performance in synthetic workflows. Its distinct molecular architecture also facilitates studies in structure-activity relationships (SAR) for drug discovery.
4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile structure
267875-39-8 structure
Product Name:4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CAS No:267875-39-8
MF:C9H7N3
MW:157.171981096268
MDL:MFCD12963477
CID:835208
PubChem ID:23000237
Update Time:2025-05-28

4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
    • 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 4-methyl-
    • 5-CYANO-4-METHYL-7-AZAINDOLE
    • AK119793
    • KB-66188
    • QC-10797
    • SureCN7214782
    • DA-07501
    • AS-82730
    • 267875-39-8
    • AKOS016010889
    • I10022
    • MFCD12963477
    • CS-0004059
    • CXRXDLPWYIZEQC-UHFFFAOYSA-N
    • DTXSID90629486
    • SB14361
    • SCHEMBL7214782
    • MDL： MFCD12963477
    • Inchi： 1S/C9H7N3/c1-6-7(4-10)5-12-9-8(6)2-3-11-9/h2-3,5H,1H3,(H,11,12)
    • InChI Key： CXRXDLPWYIZEQC-UHFFFAOYSA-N
    • SMILES： N1C=CC2C1=NC=C(C#N)C=2C

Computed Properties

  • Exact Mass: 157.063997236g/mol
  • Monoisotopic Mass: 157.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 217
  • 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: 1.4
  • Topological Polar Surface Area: 52.5?2

Experimental Properties

  • Density: 1.27±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (1.2 g/l) (25 o C),

4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile Pricemore >>

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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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Chemenu
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