Cas no 65169-63-3 (3-methyl-5-nitro-pyridine-2-carbonitrile)

3-Methyl-5-nitro-pyridine-2-carbonitrile is a heterocyclic organic compound featuring a pyridine core substituted with a methyl group at the 3-position, a nitro group at the 5-position, and a cyano group at the 2-position. This structure imparts reactivity suitable for use as an intermediate in pharmaceutical and agrochemical synthesis. The nitro and cyano functional groups enhance its utility in nucleophilic substitution and cyclization reactions, while the methyl group can influence steric and electronic properties. Its well-defined molecular framework makes it valuable for constructing complex nitrogen-containing compounds, particularly in medicinal chemistry for developing bioactive molecules. High purity and stability ensure consistent performance in synthetic applications.
3-methyl-5-nitro-pyridine-2-carbonitrile structure
65169-63-3 structure
Product Name:3-methyl-5-nitro-pyridine-2-carbonitrile
CAS No:65169-63-3
MF:C7H5N3O2
MW:163.133500814438
MDL:MFCD07375120
CID:501430
PubChem ID:12404040
Update Time:2025-06-08

3-methyl-5-nitro-pyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-5-nitropicolinonitrile
    • 2-CYANO-3-METHYL-5-NITROPYRIDINE
    • 2-Pyridinecarbonitrile,3-methyl-5-nitro-
    • 3-methyl-5-nitro-2-Pyridinecarbonitrile
    • 3-methyl-5-nitropyridine-2-carbonitrile
    • 3-methyl-5-nitro-pyridine-2-carbonitrile
    • 6-Cyano-5-methyl-3-nitropyridin
    • 2-Pyridinecarbonitrile, 3-methyl-5-nitro-
    • KMSQJNWARXZFII-UHFFFAOYSA-N
    • BCP17703
    • FCH856016
    • AB41216
    • RP22590
    • OR345389
    • SCHEMBL1663737
    • CS-W007292
    • AM20061410
    • J-509191
    • DTXSID60496642
    • AKOS006286566
    • AS-19700
    • A834990
    • MFCD07375120
    • 65169-63-3
    • FT-0652745
    • DB-073582
    • MDL: MFCD07375120
    • Inchi: 1S/C7H5N3O2/c1-5-2-6(10(11)12)4-9-7(5)3-8/h2,4H,1H3
    • InChI Key: KMSQJNWARXZFII-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CN=C(C#N)C(C)=C1)=O

Computed Properties

  • Exact Mass: 163.03800
  • Monoisotopic Mass: 163.038176411g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 227
  • 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: 82.5
  • XLogP3: 1.1

Experimental Properties

  • Color/Form: No data avaiable
  • Density: No data available
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: No data available
  • PSA: 82.50000
  • LogP: 1.69308
  • Vapor Pressure: No data available

3-methyl-5-nitro-pyridine-2-carbonitrile 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%

3-methyl-5-nitro-pyridine-2-carbonitrile Pricemore >>

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