Cas no 1187164-50-6 (5-Methyl-2-(4-nitrobenzoyl)pyridine)

5-Methyl-2-(4-nitrobenzoyl)pyridine is a nitro-substituted aromatic ketone derivative with a pyridine core, offering utility as a versatile intermediate in organic synthesis. Its structure combines a 5-methylpyridine moiety with a 4-nitrobenzoyl group, enabling selective reactivity in nucleophilic and electrophilic transformations. The nitro group enhances electron-withdrawing properties, facilitating applications in the synthesis of pharmaceuticals, agrochemicals, and functional materials. The compound’s crystalline form ensures stability and ease of handling, while its defined molecular weight (246.22 g/mol) allows precise stoichiometric use. Suitable for cross-coupling reactions and heterocyclic derivatization, it serves as a valuable building block for researchers in medicinal and materials chemistry.
5-Methyl-2-(4-nitrobenzoyl)pyridine structure
1187164-50-6 structure
Product Name:5-Methyl-2-(4-nitrobenzoyl)pyridine
CAS No:1187164-50-6
MF:C13H10N2O3
MW:242.2301030159
MDL:MFCD13152661
CID:4684386
Update Time:2025-06-08

5-Methyl-2-(4-nitrobenzoyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-2-(4-nitrobenzoyl)pyridine
    • (5-Methylpyridin-2-yl)(4-nitrophenyl)methanone
    • MDL: MFCD13152661
    • Inchi: 1S/C13H10N2O3/c1-9-2-7-12(14-8-9)13(16)10-3-5-11(6-4-10)15(17)18/h2-8H,1H3
    • InChI Key: QIDDBVLHOKHYMF-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(C)=CN=1)C1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 319
  • Topological Polar Surface Area: 75.8

5-Methyl-2-(4-nitrobenzoyl)pyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
202868-1g
5-Methyl-2-(4-nitrobenzoyl)pyridine
1187164-50-6 97%
1g
£554.00 2022-03-01
Fluorochem
202868-2g
5-Methyl-2-(4-nitrobenzoyl)pyridine
1187164-50-6 97%
2g
£837.00 2022-03-01
Fluorochem
202868-5g
5-Methyl-2-(4-nitrobenzoyl)pyridine
1187164-50-6 97%
5g
£1702.00 2022-03-01
Matrix Scientific
086643-1g
5-Methyl-2-(4-nitrobenzoyl)pyridine, 97%
1187164-50-6 97%
1g
$517.00 2023-09-08
Matrix Scientific
086643-2g
5-Methyl-2-(4-nitrobenzoyl)pyridine, 97%
1187164-50-6 97%
2g
$739.00 2023-09-08
Matrix Scientific
086643-5g
5-Methyl-2-(4-nitrobenzoyl)pyridine, 97%
1187164-50-6 97%
5g
$1412.00 2023-09-08
Ambeed
A915950-1g
(5-Methylpyridin-2-yl)(4-nitrophenyl)methanone
1187164-50-6 97%
1g
$371.0 2024-04-25
abcr
AB362985-1 g
5-Methyl-2-(4-nitrobenzoyl)pyridine, 97%; .
1187164-50-6 97%
1 g
€954.60 2023-07-19
abcr
AB362985-2 g
5-Methyl-2-(4-nitrobenzoyl)pyridine, 97%; .
1187164-50-6 97%
2 g
€1,400.00 2023-07-19
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1781711-1g
(5-Methylpyridin-2-yl)(4-nitrophenyl)methanone
1187164-50-6 97%
1g
¥15288.00 2024-08-09

Additional information on 5-Methyl-2-(4-nitrobenzoyl)pyridine

Introduction to 5-Methyl-2-(4-nitrobenzoyl)pyridine (CAS No: 1187164-50-6)

5-Methyl-2-(4-nitrobenzoyl)pyridine, with the chemical formula C13H10N2O3, is a significant compound in the realm of pharmaceutical and chemical research. This compound, identified by its CAS number 1187164-50-6, has garnered attention due to its versatile applications in synthetic chemistry and potential roles in drug development. The structural integrity of this molecule, featuring a pyridine core substituted with a methyl group and a 4-nitrobenzoyl moiety, makes it a valuable intermediate in various chemical syntheses.

The utility of 5-Methyl-2-(4-nitrobenzoyl)pyridine stems from its unique reactivity, which allows it to participate in multiple chemical transformations. The presence of the nitro group and the benzoyl moiety enhances its compatibility with a range of functional groups, making it a pivotal building block in organic synthesis. Researchers have leveraged these properties to develop novel methodologies for constructing complex molecular architectures.

In recent years, the compound has been explored for its potential applications in medicinal chemistry. The pyridine ring is a common pharmacophore in many bioactive molecules, and modifications at the 5-position can significantly influence biological activity. Studies have shown that derivatives of this compound exhibit promising pharmacological properties, including antimicrobial and anti-inflammatory effects. These findings have spurred further investigation into the synthesis of analogs that may enhance therapeutic efficacy.

The synthesis of 5-Methyl-2-(4-nitrobenzoyl)pyridine involves multi-step organic reactions that highlight the compound's synthetic versatility. The process typically begins with the nitration of benzoyl chloride, followed by condensation with methylamine and subsequent functionalization at the pyridine ring. Advanced techniques such as palladium-catalyzed cross-coupling reactions have also been employed to optimize yield and purity. These synthetic strategies underscore the importance of this compound as a key intermediate in industrial and academic research.

Recent advancements in computational chemistry have further illuminated the potential of 5-Methyl-2-(4-nitrobenzoyl)pyridine. Molecular modeling studies have provided insights into its interactions with biological targets, aiding in the design of more effective drug candidates. The nitro group, in particular, has been found to modulate binding affinity through hydrogen bonding and electrostatic interactions. Such findings are crucial for rational drug design and highlight the compound's significance in modern pharmaceutical research.

The compound's role extends beyond synthetic intermediates; it also serves as a substrate for enzyme-mediated transformations. Enzymes such as cytochrome P450 oxidases can metabolize this molecule, providing valuable insights into drug metabolism and potential side effects. Understanding these metabolic pathways is essential for developing safer and more effective therapeutic agents. The integration of enzymology with synthetic chemistry has opened new avenues for drug discovery.

In conclusion, 5-Methyl-2-(4-nitrobenzoyl)pyridine (CAS No: 1187164-50-6) is a multifaceted compound with significant implications in pharmaceutical research. Its structural features enable diverse chemical transformations, making it a valuable tool for synthetic chemists. Moreover, its potential biological activities and metabolic interactions position it as a promising candidate for future drug development. As research continues to uncover new applications, this compound will undoubtedly remain at the forefront of chemical innovation.

Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm