113209-88-4

Basic information

• Product Name: Pyridine, 5-fluoro-2-methyl-4-nitro-, 1-oxide
• Synonyms: Pyridine, 5-fluoro-2-methyl-4-nitro-, 1-oxide;5-Fluoro-2-methyl-4-nitropyridine N-oxide;5-Fluoro-2-Methyl-4-nitropyridine 1-Oxide;5-Fluoro-4-nitro-2-picoline N-oxide;5-fluoro-2-methyl-4-nitro-1-oxidopyridin-1-ium
• CAS NO: 113209-88-4
• Molecular Formula: C6H5FN2O3
• Molecular Weight: 172.115
• Mol File: 113209-88-4.mol

Chemical Properties

• Boiling Point: 422.4±40.0 °C(Predicted)
• Appearance: /
• Density: 1.48±0.1 g/cm3(Predicted)
• PKA: -1.89±0.10(Predicted)
• CAS DataBase Reference: Pyridine, 5-fluoro-2-methyl-4-nitro-, 1-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: Pyridine, 5-fluoro-2-methyl-4-nitro-, 1-oxide(113209-88-4)
• EPA Substance Registry System: Pyridine, 5-fluoro-2-methyl-4-nitro-, 1-oxide(113209-88-4)

Safety Data

• Hazardous Substances Data: 113209-88-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
Pyridine, 5-fluoro-2-methyl-4-nitro-, 1-oxide is used as a building block for the synthesis of pharmaceuticals. Its unique chemical structure allows it to be a key component in the development of new drugs, contributing to the advancement of medicine.
Used in Agrochemical Synthesis:
In the agrochemical industry, Pyridine, 5-fluoro-2-methyl-4-nitro-, 1-oxide is utilized as a building block for the synthesis of agrochemicals. Its properties make it suitable for the creation of effective compounds for agricultural applications, such as pesticides and herbicides, enhancing crop protection and yield.
Used in Organic Chemistry Research:
Pyridine, 5-fluoro-2-methyl-4-nitro-, 1-oxide is employed as a research compound in organic chemistry. Its distinct structure makes it an interesting subject for studying chemical reactions and mechanisms, furthering the understanding of organic chemistry and potentially leading to new discoveries and applications.

Upstream product

• 45673-79-8 2‐methyl‐5‐fluoropyridine 1‐oxide 
• 80287-53-2 5-Amino-2-methylpyridine 
• 31181-53-0 2‐methyl‐5‐fluoropyridine 

Downstream Products

• 113209-89-5 4-chloro-5-fluoro-2-methylpyridin-1-ium-1-olate 
• 102625-91-2 5-methoxy-2-methyl-4-nitro-pyridine-1-oxide 
• 113209-90-8 4-chloro-5-fluoro-2-(hydroxymethyl)pyridine 

Relevant articles and documents

Assessing multiple conformations of lanthanide binding tags for proteins using a sensitive19F-reporter

Quantifying the isomeric species of metal complexes in solution is difficult.19F NMR herein was used to determine the abundance of isomeric species and dynamic properties of lanthanide binding tags. The results suggest that19F is an efficient reporter in assessing and screening paramagnetic tags suitable for protein NMR analysis.

NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV)

The present invention relates generally to novel antiviral agents. Specifically, the present invention relates to compounds which can inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV replication cycle, compositions comprising such compounds, methods for inhibiting HBV viral replication, methods for treating or preventing HBV infection, and processes and intermediates for making the compounds.

NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV)

The present invention relates generally to novel antiviral agents. Specifically, the present invention relates to compounds which can inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV replication cycle, compositions comprising such compounds, methods for inhibiting HBV viral replication, methods for treating or preventing HBV infection, and processes and intermediates for making the compounds.

INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF

The present invention provides compounds and compositions thereof which are useful as inhibitors of plasma kallikrein and which exhibit desirable characteristics for the same.

BICYCLIC PROLINE COMPOUNDS

The invention is concerned with the compounds of formula (I) and salts thereof. In addition, the present invention relates to methods of manufacturing and methods of using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain.

Structure-based drug design of novel potent and selective tetrahydropyrazolo[1,5-a]pyrazines as ATR inhibitors

A saturation strategy focused on improving the selectivity and physicochemical properties of ATR inhibitor HTS hit 1 led to a novel series of highly potent and selective tetrahydropyrazolo[1,5-a]pyrazines. Use of PI3Kα mutants as ATR crystal structure surrogates was instrumental in providing cocrystal structures to guide the medicinal chemistry designs. Detailed DMPK studies involving cyanide and GSH as trapping agents during microsomal incubations, in addition to deuterium-labeled compounds as mechanistic probes uncovered the molecular basis for the observed CYP3A4 TDI in the series. (Chemical Equation Presented).

Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase

Non-nucleoside inhibitors of HIV-1 reverse transcriptase (HIV-RT) are reported that incorporate a 7-indolizinylamino or 2-naphthylamino substituent on a pyrimidine or 1,3,5-triazine core. The most potent compounds show below 10 nanomolar activity towards wild-type HIV-1 and variants bearing Tyr181Cys and Lys103Asn/Tyr181Cys resistance mutations. The compounds also feature good aqueous solubility. Crystal structures for two complexes enhance the analysis of the structure-activity data.

The design of efficient and selective routes to pyridyl analogues of 3-oxo-3,4-dihydro-2H-1,4-(benzothiazine or benzoxazine)-6-carbaldehydes

This Letter describes the synthesis of challenging pyridyl analogues of 3-oxo-3,4-dihydro-2H-1,4-(benzothiazine or benzoxazine)-6-carbaldehydes. The six different routes described are high yielding, contain no major purification issues and have been used to give gram quantities of each aldehyde.

NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS

Cyclohexane and cyclohexene derivatives and pharmaceutically acceptable derivatives hereof useful in methods of treatment of bacterial infections in mammals, particularly man.

Quinolizinone type compounds

Antibacterial compounds having the formula STR1 and the pharmaceutically acceptable salts, esters and amides thereof, preferred examples of which include those compounds wherein A is =CR6 --; R1 is cycloalkyl of from three to eight carbon atoms or substituted phenyl; R2 is selected from the group consisting of STR2 R3 is halogen; R4 is hydrogen, loweralkyl, a pharmaceutically acceptable cation, or a prodrug ester group; R5 is hydrogen, loweralkyl, halo(loweralkyl), or --NR13 R14 ; and R6 is halogen, loweralkyl, halo(loweralkyl), hydroxy-substituted loweralkyl, loweralkoxy(loweralkyl), loweralkoxy, or amino(loweralkyl), as well as pharmaceutical compositions containing such compounds and the use of the same in the treatment of bacterial infections.