Cas no 249583-84-4 (5-Acetylpicolinonitrile)

5-Acetylpicolinonitrile is a versatile heterocyclic compound featuring both acetyl and nitrile functional groups on a pyridine ring. This structure imparts reactivity useful in organic synthesis, particularly as a building block for pharmaceuticals, agrochemicals, and coordination chemistry. The acetyl group offers a site for nucleophilic addition or condensation reactions, while the nitrile functionality can undergo hydrolysis, reduction, or cyclization. Its pyridine core enhances stability and facilitates metal coordination, making it valuable in catalyst design. The compound’s balanced polarity ensures moderate solubility in common organic solvents, aiding in purification and downstream applications. Its well-defined reactivity profile makes it a reliable intermediate for constructing complex nitrogen-containing frameworks.
5-Acetylpicolinonitrile structure
5-Acetylpicolinonitrile structure
Product Name:5-Acetylpicolinonitrile
CAS No:249583-84-4
MF:C8H6N2O
MW:146.14604139328
MDL:MFCD06637533
CID:246212
PubChem ID:12175677
Update Time:2025-06-07

5-Acetylpicolinonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Acetylpicolinonitrile
    • 2-Pyridinecarbonitrile,5-acetyl-
    • 5-ACETYL-2-CYANOPYRIDINE
    • 5-acetylpyridine-2-carbonitrile
    • 2-Pyridinecarbonitrile,5-acetyl
    • 5-ACETYL-2-PYRIDINECARBONITRILE
    • XKHZUBPLEFQIEM-UHFFFAOYSA-N
    • 2-PYRIDINECARBONITRILE, 5-ACETYL-
    • YSZC1231
    • AB25372
    • 3-acetyl-6-cyanopyridine
    • DTXSID70479249
    • FT-0647707
    • CS-0336224
    • MFCD06637533
    • AKOS006292055
    • 249583-84-4
    • SCHEMBL1584376
    • 4-Hydroxytestosteronecypionate
    • DB-081978
    • MDL: MFCD06637533
    • Inchi: 1S/C8H6N2O/c1-6(11)7-2-3-8(4-9)10-5-7/h2-3,5H,1H3
    • InChI Key: XKHZUBPLEFQIEM-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C=NC(C#N)=CC=1

Computed Properties

  • Exact Mass: 146.04800
  • Monoisotopic Mass: 146.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 203
  • 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: 0.6
  • Topological Polar Surface Area: 53.8?2

Experimental Properties

  • Density: 1.19
  • Boiling Point: 336.5°C at 760 mmHg
  • Flash Point: 157.3°C
  • Refractive Index: 1.539
  • PSA: 53.75000
  • LogP: 1.15588

5-Acetylpicolinonitrile 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%

5-Acetylpicolinonitrile Pricemore >>

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abcr
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