Cas no 648898-18-4 (6-(4-Cyanophenyl)nicotinic acid)

6-(4-Cyanophenyl)nicotinic acid is a versatile organic compound featuring both a cyano-substituted phenyl group and a nicotinic acid moiety. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients and fine chemicals. The presence of the cyano group enhances reactivity, enabling further functionalization, while the carboxylic acid group offers opportunities for derivatization or coordination chemistry. Its high purity and stability under standard conditions ensure consistent performance in research and industrial applications. This compound is particularly useful in medicinal chemistry for designing novel bioactive molecules due to its balanced polarity and structural rigidity.
6-(4-Cyanophenyl)nicotinic acid structure
648898-18-4 structure
Product Name:6-(4-Cyanophenyl)nicotinic acid
CAS No:648898-18-4
MF:C13H8N2O2
MW:224.214822769165
MDL:MFCD17677583
CID:413119
PubChem ID:53222619
Update Time:2025-06-13

6-(4-Cyanophenyl)nicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 6-(4-Cyanophenyl)nicotinic acid
    • 3-Pyridinecarboxylic acid, 6-(4-cyanophenyl)-
    • 6-(2-ACETYLAMINOPHENYL)-NICOTINIC ACID
    • 6-(4-cyanophenyl)-3-pyridinecarboxylic acid
    • 6-(4-cyanophenyl)pyridine-3-carboxylic acid
    • 3-Pyridinecarboxylic acid,6-(4-cyanophenyl)
    • SCHEMBL5937360
    • DTXSID30687000
    • 648898-18-4
    • 6-(4-Cyanophenyl)nicotinicacid
    • MFCD17677583
    • A1-28730
    • DB-341581
    • MDL: MFCD17677583
    • Inchi: 1S/C13H8N2O2/c14-7-9-1-3-10(4-2-9)12-6-5-11(8-15-12)13(16)17/h1-6,8H,(H,16,17)
    • InChI Key: BTIDMWGKJCRQDZ-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=C(C=C1)C1C=CC(C#N)=CC=1)=O

Computed Properties

  • Exact Mass: 256.08500
  • Monoisotopic Mass: 224.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 326
  • 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: 1.8
  • Topological Polar Surface Area: 74?2

Experimental Properties

  • PSA: 79.29000
  • LogP: 2.47820

6-(4-Cyanophenyl)nicotinic 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%

6-(4-Cyanophenyl)nicotinic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019123232-1g
6-(4-Cyanophenyl)nicotinic acid
648898-18-4 95%
1g
$549.44 2023-09-01
Matrix Scientific
217743-2.500g
6-(4-Cyanophenyl)nicotinic acid, 95%
648898-18-4 95%
2.500g
$1733.00 2023-09-09
Chemenu
CM177060-1g
6-(4-cyanophenyl)nicotinic acid
648898-18-4 95%
1g
$632 2021-08-05
A2B Chem LLC
AG76944-2.5g
6-(4-Cyanophenyl)nicotinic acid
648898-18-4 95%
2.5g
$1151.00 2024-04-19
Chemenu
CM177060-1g
6-(4-cyanophenyl)nicotinic acid
648898-18-4 95%
1g
$593 2022-06-10
Crysdot LLC
CD11079982-1g
6-(4-Cyanophenyl)nicotinic acid
648898-18-4 95+%
1g
$668 2024-07-18
A2B Chem LLC
AG76944-1g
6-(4-Cyanophenyl)nicotinic acid
648898-18-4
1g
$363.00 2023-12-30
A2B Chem LLC
AG76944-5g
6-(4-Cyanophenyl)nicotinic acid
648898-18-4
5g
$1128.00 2023-12-30
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1651146-1g
6-(4-Cyanophenyl)nicotinic acid
648898-18-4 98%
1g
¥4569.00 2024-05-05
abcr
AB323245-5g
6-(4-Cyanophenyl)nicotinic acid, 95%; .
648898-18-4 95%
5g
€1159.00 2025-04-17

6-(4-Cyanophenyl)nicotinic acid Related Literature

Additional information on 6-(4-Cyanophenyl)nicotinic acid

Introduction to 6-(4-Cyanophenyl)nicotinic Acid (CAS No: 648898-18-4)

6-(4-Cyanophenyl)nicotinic acid, identified by the chemical identifier CAS No 648898-18-4, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound belongs to the class of nicotinic acid derivatives, which are known for their diverse biological activities and potential therapeutic applications. The structural motif of 6-(4-cyanophenyl)nicotinic acid incorporates a cyanophenyl group, which introduces unique electronic and steric properties, making it a valuable scaffold for medicinal chemistry investigations.

The synthesis of 6-(4-cyanophenyl)nicotinic acid involves multi-step organic transformations, typically starting from readily available precursors such as 4-cyanobenzaldehyde and nicotinic acid. The introduction of the cyanophenyl moiety at the 6-position of the nicotinic acid core enhances the compound's interactions with biological targets, particularly enzymes and receptors involved in metabolic pathways. This modification has been strategically employed to modulate the pharmacokinetic and pharmacodynamic profiles of derivatives, aiming to improve drug efficacy and reduce side effects.

In recent years, 6-(4-cyanophenyl)nicotinic acid has been extensively studied for its potential role in addressing various therapeutic challenges. One of the most promising areas of research is its application in neurodegenerative diseases. Nicotinic acid derivatives are known to interact with nicotinic acetylcholine receptors (nAChRs), which are implicated in cognitive function, memory, and neuroprotection. The cyanophenyl group in 6-(4-cyanophenyl)nicotinic acid may enhance binding affinity and selectivity for specific nAChR subtypes, making it a candidate for developing novel therapeutics against conditions such as Alzheimer's disease and Parkinson's disease.

Furthermore, the compound has shown potential in combating metabolic disorders. Emerging research indicates that 6-(4-cyanophenyl)nicotinic acid can influence key enzymes involved in glucose metabolism and lipid synthesis. By modulating these pathways, the compound may offer benefits in managing type 2 diabetes and hyperlipidemia. Preclinical studies have demonstrated that derivatives of nicotinic acid exhibit improved insulin sensitivity and reduced triglyceride levels, suggesting a promising future for 6-(4-cyanophenyl)nicotinic acid as a lead compound for drug development.

The agrochemical sector has also recognized the significance of 6-(4-cyanophenyl)nicotinic acid due to its structural features that can be exploited for developing novel pesticides and herbicides. The cyanophenyl group contributes to enhanced stability and bioavailability, crucial factors for effective crop protection agents. Researchers are exploring its potential as a precursor for compounds that target specific enzymatic pathways in pests, offering an environmentally friendly alternative to conventional agrochemicals.

From a synthetic chemistry perspective, 6-(4-cyanophenyl)nicotinic acid serves as an excellent building block for constructing more complex molecules. Its versatile reactivity allows chemists to introduce additional functional groups or modify existing ones, leading to a wide array of derivatives with tailored properties. This flexibility is particularly valuable in drug discovery pipelines, where structural optimization is essential for achieving desired pharmacological outcomes.

The latest advancements in computational chemistry have further accelerated the exploration of 6-(4-cyanophenyl)nicotinic acid. Molecular modeling techniques have been employed to predict binding interactions with biological targets, providing insights into potential mechanisms of action. These simulations have helped researchers refine synthetic strategies and prioritize candidates for experimental validation. Additionally, high-throughput screening (HTS) methods have been utilized to assess the biological activity of various derivatives, streamlining the process of identifying promising leads.

In conclusion, 6-(4-cyanophenyl)nicotinic acid (CAS No: 648898-18-4) represents a compelling subject of study across multiple domains of chemical research. Its unique structural features and demonstrated biological activities position it as a key intermediate in pharmaceutical development, with potential applications ranging from neurodegenerative diseases to metabolic disorders and agrochemicals. As research continues to uncover new possibilities, this compound is poised to play an increasingly significant role in advancing scientific knowledge and innovation.

Recommended suppliers
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd