Cas no 1261899-93-7 (4-(2-Formylphenyl)nicotinic acid)

4-(2-Formylphenyl)nicotinic acid is a versatile bifunctional compound featuring both a formyl group and a carboxylic acid moiety on an aromatic scaffold. This structure makes it a valuable intermediate in organic synthesis, particularly for constructing heterocyclic frameworks and pharmaceutical building blocks. The formyl group enables condensation reactions, while the carboxylic acid provides a handle for further derivatization or metal coordination. Its rigid aromatic backbone contributes to stability, and the orthogonal reactivity of its functional groups allows for selective modifications. This compound is useful in medicinal chemistry research, materials science, and coordination chemistry applications. Proper handling under inert conditions is recommended due to the sensitivity of the formyl group.
4-(2-Formylphenyl)nicotinic acid structure
1261899-93-7 structure
Product Name:4-(2-Formylphenyl)nicotinic acid
CAS No:1261899-93-7
MF:C13H9NO3
MW:227.215463399887
MDL:MFCD18323331
CID:2762181
PubChem ID:53229157
Update Time:2025-06-13

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

Names and Identifiers

    • SCHEMBL2560775
    • MFCD18323331
    • 1261899-93-7
    • DTXSID10692430
    • 4-(2-FORMYLPHENYL)NICOTINIC ACID
    • 4-(2-Formylphenyl)nicotinic acid, 95%
    • 4-(2-Formylphenyl)nicotinic acid
    • MDL: MFCD18323331
    • Inchi: 1S/C13H9NO3/c15-8-9-3-1-2-4-10(9)11-5-6-14-7-12(11)13(16)17/h1-8H,(H,16,17)
    • InChI Key: VJYHFPJWWTVRJG-UHFFFAOYSA-N
    • SMILES: OC(C1C=NC=CC=1C1C=CC=CC=1C=O)=O

Computed Properties

  • Exact Mass: 227.058243149Da
  • Monoisotopic Mass: 227.058243149Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 292
  • 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: 1.5
  • Topological Polar Surface Area: 67.3?2

4-(2-Formylphenyl)nicotinic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB330635-5 g
4-(2-Formylphenyl)nicotinic acid, 95%; .
1261899-93-7 95%
5g
€1159.00 2023-04-26
abcr
AB330635-5g
4-(2-Formylphenyl)nicotinic acid, 95%; .
1261899-93-7 95%
5g
€1159.00 2025-04-21

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

Introduction to 4-(2-Formylphenyl)nicotinic Acid (CAS No: 1261899-93-7) and Its Emerging Applications in Chemical Biology and Medicine

4-(2-Formylphenyl)nicotinic acid, identified by the Chemical Abstracts Service Number (CAS No) 1261899-93-7, is a structurally intriguing heterocyclic compound that has garnered significant attention in the field of chemical biology and medicinal chemistry. This compound, characterized by its fused pyridine and benzene rings with a formyl substituent at the para position of the phenyl ring, exhibits a unique combination of chemical reactivity and biological potential. The presence of both a formyl group and a nicotinic acid moiety makes it a versatile scaffold for designing novel pharmacophores, particularly in the development of therapeutic agents targeting neurological and metabolic disorders.

The nicotinic acid component of this molecule is well-known for its role in modulating lipid metabolism and its cardiovascular benefits, while the formylphenyl moiety introduces electrophilic reactivity that can be exploited for covalent protein modification or as a handle for further derivatization. This dual functionality has positioned 4-(2-formylphenyl)nicotinic acid as a promising candidate for drug discovery initiatives aimed at addressing complex diseases.

Recent advancements in synthetic chemistry have enabled more efficient and scalable routes to 4-(2-formylphenyl)nicotinic acid, facilitating its exploration in preclinical studies. The compound’s ability to engage with biological targets such as enzymes and receptors has been investigated in detail, revealing potential applications in areas ranging from anti-inflammatory therapies to neuroprotective agents. For instance, studies have demonstrated that derivatives of this scaffold can modulate the activity of enzymes involved in polyamine metabolism, which is relevant to conditions such as cancer and neurodegeneration.

One particularly exciting aspect of 4-(2-formylphenyl)nicotinic acid is its utility as a building block for probe compounds used in biochemical assays. The formyl group allows for facile conjugation with biomolecules, enabling researchers to develop tools for studying protein-protein interactions or enzyme kinetics. Such probes are invaluable in elucidating molecular mechanisms underlying disease pathways, which is critical for the rational design of targeted therapies.

The pharmaceutical industry has taken note of the compound’s potential, with several academic and industrial groups reporting novel derivatives with enhanced pharmacological properties. These derivatives often exhibit improved solubility, bioavailability, or selectivity, making them more attractive candidates for clinical development. For example, modifications to the phenyl ring or the nicotinic acid moiety have yielded compounds with potent anti-inflammatory effects, suggesting that 4-(2-formylphenyl)nicotinic acid could be a key intermediate in next-generation therapeutic strategies.

From a computational chemistry perspective, 4-(2-formylphenyl)nicotinic acid has been subjected to extensive molecular modeling studies to understand its interactions with biological targets at an atomic level. These studies have provided insights into how structural modifications can fine-tune binding affinity and specificity, guiding the optimization process toward more effective drug candidates. The integration of machine learning algorithms with experimental data has further accelerated the discovery pipeline, allowing researchers to predict promising derivatives before synthesizing them.

The compound’s role in medicinal chemistry extends beyond simple drug development; it also serves as an inspiration for designing new synthetic methodologies. The challenge of functionalizing heterocyclic systems like 4-(2-formylphenyl)nicotinic acid has led to innovations in catalytic processes and reaction conditions, which may have broader implications for synthetic organic chemistry. Such advancements not only benefit drug discovery but also contribute to sustainable chemical practices by improving atom economy and reducing waste.

In conclusion, 4-(2-formylphenyl)nicotinic acid (CAS No: 1261899-93-7) represents a compelling example of how structural complexity can be leveraged to unlock biological function. Its unique combination of chemical features makes it a valuable tool for researchers exploring new therapeutic avenues across multiple disciplines. As our understanding of its properties continues to grow, so too will its applications in medicine and chemical biology. The ongoing investigation into this compound underscores the importance of interdisciplinary collaboration between chemists, biologists, and clinicians in harnessing nature’s diversity for human health.

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