Cas no 16569-02-1 (4-Ethoxypicolinonitrile)

4-Ethoxypicolinonitrile is a specialized organic compound featuring a pyridine core substituted with an ethoxy group at the 4-position and a nitrile functional group. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing heterocyclic frameworks. Its nitrile group offers reactivity for further functionalization, while the ethoxy substituent enhances solubility and influences electronic properties. The compound is characterized by high purity and stability, ensuring consistent performance in reactions such as nucleophilic substitutions or cyclizations. Its utility in medicinal chemistry stems from its role in producing bioactive molecules, including potential drug candidates. Suitable for controlled environments, it requires standard handling precautions for nitrile-containing compounds.
4-Ethoxypicolinonitrile structure
4-Ethoxypicolinonitrile structure
Product Name:4-Ethoxypicolinonitrile
CAS No:16569-02-1
MF:C8H8N2O
MW:148.16192150116
CID:121736
PubChem ID:26338272
Update Time:2025-05-27

4-Ethoxypicolinonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Ethoxypicolinonitrile
    • 2-Cyano-4-ethoxypyridine
    • 2-Pyridinecarbonitrile,4-ethoxy-
    • 4-ethoxypyridine-2-carbonitrile
    • 2-Cyano-4-ethoxypyridin
    • 2-Pyridinecarbonitrile,4-ethoxy
    • 4-Ethoxy-picolinonitril
    • 4-ethoxy-pyridine-2-carbonitrile
    • Picolinonitrile,4-ethoxy-(7CI,8CI)
    • 16569-02-1
    • DTXSID70649905
    • AKOS012233598
    • FT-0710780
    • SCHEMBL19999906
    • DB-081985
    • Inchi： 1S/C8H8N2O/c1-2-11-8-3-4-10-7(5-8)6-9/h3-5H,2H2,1H3
    • InChI Key： NZVDQJFLEZFFFS-UHFFFAOYSA-N
    • SMILES： O(CC)C1C=CN=C(C#N)C=1

Computed Properties

  • Exact Mass: 148.06400
  • Monoisotopic Mass: 148.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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
  • Topological Polar Surface Area: 45.9A^2
  • XLogP3: 1.2

Experimental Properties

  • PSA: 45.91000
  • LogP: 1.35198

4-Ethoxypicolinonitrile Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-Ethoxypicolinonitrile Pricemore >>

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