4-Chloro-3-methylpyridine 1-Oxide - ≥96% , CAS No.1073-34-3

CAS: 1073-34-3 Cat. No.: C342199 Molecular Weight: 143.57 EC Number: 858-883-0

GRADE & PURITY ≥96%

Synonyms

DTXSID50292079 | ZVOJIYQUDWBKNC-UHFFFAOYSA-N | 4-chloro-3-methylpyridin-1-ium-1-olate | AKOS006273006 | NSC80298 | NSC-80298 | FT-0664817 | Pyridine,4-chloro-3-methyl-, 1-oxide | 4-chloro-3-methyl-1-oxido-pyridine | 4-Chloro-3-methylpyridine 1-oxide | 4-c

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Application：

A nicotinamide analogue as neoplasm inhibitor.

Specifications

Synonyms

DTXSID50292079 | ZVOJIYQUDWBKNC-UHFFFAOYSA-N | 4-chloro-3-methylpyridin-1-ium-1-olate | AKOS006273006 | NSC80298 | NSC-80298 | FT-0664817 | Pyridine, 4-chloro-3-methyl-, 1-oxide | 4-chloro-3-methyl-1-oxido-pyridine | 4-Chloro-3-methylpyridine 1-oxide | 4-c

Specifications & Purity

≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 528760372
• Canonical Smiles: CC1=C(C=C[N+](=C1)[O-])Cl
• IUPAC Name: 4-chloro-3-methyl-1-oxidopyridin-1-ium
• InChIKey: ZVOJIYQUDWBKNC-UHFFFAOYSA-N
• INCHI: 1S/C6H6ClNO/c1-5-4-8(9)3-2-6(5)7/h2-4H,1H3
• Isomeric SMILES: CC1=C(C=C[N+](=C1)[O-])Cl
• Molecular Weight: 143.57
• Reaxy-Rn: 113977
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113977&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Pyridinium derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Pyridinium - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 143.570 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 143.014 Da
• Monoisotopic Mass: 143.014 Da
• Topological Polar Surface Area: 25.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1