Cas no 1258627-15-4 (2-(3-Methoxycarbonylphenyl)Isonicotinic acid)

2-(3-Methoxycarbonylphenyl)isonicotinic acid is a versatile intermediate in organic synthesis, particularly valued for its role in pharmaceutical and agrochemical applications. Its structure combines a methoxycarbonylphenyl group with an isonicotinic acid moiety, offering reactivity at multiple sites for further functionalization. This compound is useful in the synthesis of heterocyclic compounds and active pharmaceutical ingredients (APIs), where its stability and compatibility with various reaction conditions are advantageous. The presence of both carboxylic acid and ester functionalities allows for selective modifications, making it a valuable building block in medicinal chemistry and material science. High purity and consistent quality ensure reliable performance in research and industrial processes.
2-(3-Methoxycarbonylphenyl)Isonicotinic acid structure
1258627-15-4 structure
Product Name:2-(3-Methoxycarbonylphenyl)Isonicotinic acid
CAS No:1258627-15-4
MF:C14H11NO4
MW:257.241443872452
CID:2760977
PubChem ID:50999412
Update Time:2025-10-29

2-(3-Methoxycarbonylphenyl)Isonicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-methoxycarbonylphenyl)pyridine-4-carboxylic acid
    • 2-(3-Methoxycarbonylphenyl)-isonicotinic acid;
    • DTXSID30679506
    • 1258627-15-4
    • 2-(3-Methoxycarbonylphenyl)-isonicotinic acid
    • 2-(3-METHOXYCARBONYLPHENYL)ISONICOTINIC ACID
    • 2-(3-(Methoxycarbonyl)phenyl)isonicotinicacid
    • 2-(3-(Methoxycarbonyl)phenyl)isonicotinic acid
    • 2-[3-(Methoxycarbonyl)phenyl]pyridine-4-carboxylic acid
    • MFCD17079059
    • BS-30426
    • 2-(3-Methoxycarbonylphenyl)Isonicotinic acid
    • MDL: MFCD17079059
    • Inchi: 1S/C14H11NO4/c1-19-14(18)11-4-2-3-9(7-11)12-8-10(13(16)17)5-6-15-12/h2-8H,1H3,(H,16,17)
    • InChI Key: HYEUSAIZCFFSPA-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=CC(=C1)C1C=C(C(=O)O)C=CN=1)=O

Computed Properties

  • Exact Mass: 257.06900
  • Monoisotopic Mass: 257.06880783Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 344
  • 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: 1.9
  • Topological Polar Surface Area: 76.5?2

Experimental Properties

  • PSA: 76.49000
  • LogP: 2.23340

2-(3-Methoxycarbonylphenyl)Isonicotinic acid 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%

2-(3-Methoxycarbonylphenyl)Isonicotinic acid Pricemore >>

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