Cas no 1065074-81-8 (3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine)

3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine is a heterocyclic compound featuring a pyridine core substituted with bromo, nitro, and pyrrolidin-1-yl functional groups. This structure makes it a valuable intermediate in organic synthesis, particularly for pharmaceutical and agrochemical applications. The bromo and nitro groups offer reactive sites for further functionalization, enabling cross-coupling reactions or nucleophilic substitutions. The pyrrolidin-1-yl moiety enhances solubility and influences electronic properties, facilitating its use in drug discovery and material science. Its well-defined reactivity profile and stability under standard conditions make it a reliable building block for constructing complex molecular architectures. Suitable for controlled modifications, it is often employed in medicinal chemistry for lead optimization.
3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine structure
1065074-81-8 structure
Product Name:3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine
CAS No:1065074-81-8
MF:C9H10BrN3O2
MW:272.09860086441
MDL:MFCD11053819
CID:857853
PubChem ID:46738931
Update Time:2025-11-01

3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine
    • 3-bromo-5-nitro-2-pyrrolidin-1-ylpyridine
    • 3-Bromo-5-nitro-2-pyrrolidin-1-yl-pyridine
    • CS-0207786
    • BS-26003
    • AKOS015834050
    • SB30452
    • C9H10BrN3O2
    • F80264
    • 1065074-81-8
    • DTXSID70674575
    • MFCD11053819
    • MDL: MFCD11053819
    • Inchi: 1S/C9H10BrN3O2/c10-8-5-7(13(14)15)6-11-9(8)12-3-1-2-4-12/h5-6H,1-4H2
    • InChI Key: YZDNWQJSPBAYQY-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=CN=C1N1CCCC1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 270.99600
  • Monoisotopic Mass: 270.99564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 240
  • 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: 2.3
  • Topological Polar Surface Area: 62?2

Experimental Properties

  • Density: 1.646±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (1.9 g/l) (25 o C),
  • PSA: 61.95000
  • LogP: 2.94070

3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine

3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine: A Comprehensive Overview

The compound with CAS No. 1065074-81-8, commonly referred to as 3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a pyridine ring with substituents that confer both electronic and steric effects. The bromo and nitro groups attached to the pyridine ring contribute to its reactivity and potential applications in various chemical reactions.

Recent studies have highlighted the importance of 3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine in the synthesis of advanced materials. For instance, researchers have explored its role as a precursor in the construction of heterocyclic compounds, which are essential components in pharmaceuticals and agrochemicals. The presence of the pyrrolidinyl group enhances the molecule's stability and solubility, making it a valuable intermediate in organic synthesis.

The synthesis of 3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine involves a series of carefully controlled reactions. Starting from pyridine derivatives, chemists employ bromination and nitration techniques to introduce the functional groups. The use of pyrrolidine as a substituent is particularly strategic, as it provides a rigid framework that facilitates further modifications. This compound has been successfully synthesized using both traditional and modern methodologies, including microwave-assisted synthesis and catalytic processes.

In terms of applications, 3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine has shown promise in the development of novel pharmaceutical agents. Its ability to act as a building block for more complex molecules has made it a cornerstone in drug discovery programs targeting various diseases. For example, derivatives of this compound have been investigated for their anti-inflammatory and anticancer properties, demonstrating significant bioactivity in preclinical studies.

Moreover, the compound's electronic properties make it an attractive candidate for use in electronic materials. The combination of electron-withdrawing groups like bromo and nitro with the electron-rich pyrrolidine ring creates a molecule with unique redox characteristics. These properties are being explored in the context of organic electronics, where they could potentially be used in the development of new types of conductive polymers or semiconducting materials.

Recent advancements in computational chemistry have also shed light on the molecular dynamics of 3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine. Through density functional theory (DFT) calculations, researchers have gained insights into its electronic structure and reactivity patterns. These findings have not only enhanced our understanding of the compound but also provided valuable guidance for its optimization and application in various chemical systems.

In conclusion, 3-Bromo-5-nitro-2-(pyrrolidin-1-yli pylidine) (CAS No. 1065074-) is a versatile compound with a wide range of potential applications. Its unique structure, combined with its reactivity and stability, makes it an invaluable tool in organic synthesis and materials science. As research continues to uncover new possibilities for this molecule, its role in advancing chemical science is expected to grow significantly.

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