Cas no 101419-78-7 (2-(4-Fluorophenyl)nicotinic acid)

2-(4-Fluorophenyl)nicotinic acid is a fluorinated nicotinic acid derivative with applications in pharmaceutical and agrochemical research. Its structure features a 4-fluorophenyl substituent attached to the pyridine ring, enhancing its potential as a key intermediate in the synthesis of bioactive compounds. The fluorine moiety improves metabolic stability and binding affinity, making it valuable in drug discovery. This compound exhibits favorable physicochemical properties, including moderate solubility and stability under standard conditions. It is commonly utilized in the development of kinase inhibitors, receptor modulators, and other therapeutic agents. High-purity grades are available for precise synthetic applications, ensuring reliable performance in research and industrial settings.
2-(4-Fluorophenyl)nicotinic acid structure
101419-78-7 structure
Product Name:2-(4-Fluorophenyl)nicotinic acid
CAS No:101419-78-7
MF:C12H8FNO2
MW:217.195826530457
MDL:MFCD14700037
CID:1037866
PubChem ID:13601374
Update Time:2025-10-15

2-(4-Fluorophenyl)nicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Fluorophenyl)nicotinic acid
    • 2-(4-fluorophenyl)pyridine-3-carboxylic acid
    • CS-0060358
    • 3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)-
    • 101419-78-7
    • SCHEMBL3712467
    • AKOS015899208
    • BEA41978
    • AS-66993
    • W18152
    • DTXSID60544778
    • MFCD14700037
    • 2-(4-Fluorophenyl)nicotinicacid
    • DB-346141
    • F2167-2993
    • MDL： MFCD14700037
    • Inchi： 1S/C12H8FNO2/c13-9-5-3-8(4-6-9)11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
    • InChI Key： ACGWDCZWNMSHNE-UHFFFAOYSA-N
    • SMILES： FC1C=CC(=CC=1)C1C(C(=O)O)=CC=CN=1

Computed Properties

  • Exact Mass: 217.05400
  • Monoisotopic Mass: 217.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 251
  • 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: 2.1
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.319 g/cm3
  • Melting Point: Not available
  • Boiling Point: 354.249 °C at 760 mmHg
  • Flash Point: 168.044 °C
  • PSA: 50.19000
  • LogP: 2.58590
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-(4-Fluorophenyl)nicotinic acid Security Information

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2-(4-Fluorophenyl)nicotinic acid Production Method

2-(4-Fluorophenyl)nicotinic acid Related Literature

Additional information on 2-(4-Fluorophenyl)nicotinic acid

Comprehensive Overview of 2-(4-Fluorophenyl)nicotinic acid (CAS 101419-78-7): Properties, Applications, and Industry Insights

2-(4-Fluorophenyl)nicotinic acid (CAS 101419-78-7) is a fluorinated nicotinic acid derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its 4-fluorophenyl substitution, serves as a versatile intermediate in the synthesis of bioactive molecules. Its unique structural features, including the nicotinic acid core and fluorine moiety, contribute to enhanced metabolic stability and binding affinity in target applications.

The growing demand for fluorinated compounds in drug discovery, driven by their ability to modulate pharmacokinetic properties, has positioned 2-(4-Fluorophenyl)nicotinic acid as a valuable building block. Researchers frequently explore its utility in designing kinase inhibitors, anti-inflammatory agents, and central nervous system (CNS) therapeutics. Recent studies highlight its potential in addressing neurodegenerative disorders, a hot topic in 2024 due to rising global health concerns.

From a synthetic chemistry perspective, CAS 101419-78-7 exemplifies the strategic use of halogenated aromatics to fine-tune electronic effects in molecular design. The fluorine atom at the para-position influences the compound’s acidity, solubility, and intermolecular interactions—critical factors in medicinal chemistry optimization. These attributes align with current industry trends favoring fragment-based drug discovery (FBDD) and covalent inhibitor development.

Environmental and regulatory considerations for 2-(4-Fluorophenyl)nicotinic acid reflect broader discussions on green chemistry principles. While not classified as hazardous, its synthesis often involves palladium-catalyzed cross-coupling reactions, prompting research into sustainable catalysis alternatives. This resonates with the pharmaceutical industry’s 2024 focus on carbon footprint reduction and process intensification.

Analytical characterization of 101419-78-7 typically employs HPLC-MS, NMR spectroscopy, and X-ray crystallography—techniques frequently searched by synthetic chemists. The compound’s crystalline properties make it suitable for co-crystal engineering, an emerging approach to improve drug bioavailability. Such applications are increasingly discussed in forums about solid-state chemistry and polymorphism control.

Market intelligence indicates rising procurement of 2-(4-Fluorophenyl)nicotinic acid by contract research organizations (CROs) and generic drug manufacturers. This trend correlates with patent expirations for fluorinated drugs and the expansion of bioconjugation technologies. Suppliers emphasizing high-purity grades (>98%) and custom synthesis options are capturing greater market share, reflecting end-user needs for structure-activity relationship (SAR) studies.

Future directions for this compound may involve continuous flow chemistry adaptations or incorporation into PROTACs (proteolysis-targeting chimeras), two rapidly evolving areas in 2024’s drug development landscape. Its compatibility with late-stage fluorination techniques also positions it as a candidate for isotope labeling studies, particularly with 18F for PET imaging applications.

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