3-Chloro-2-methoxy-5-nitropyridine - ≥97% , CAS No.22353-53-3

CAS: 22353-53-3 Cat. No.: C192149 Fórmula: C₆H₅ClN₂O₃ Peso molecular: 188.57

GRADE & PURITY ≥97%

Synonyms

3-chloro-2-methoxy-5-nitropyridine|22353-53-3|MFCD18254096|SCHEMBL3357119|DTXSID40725068|AKOS015995114|DS-2868|SY114454|J-512195

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-chloro-2-methoxy-5-nitropyridine | 22353-53-3 | MFCD18254096 | SCHEMBL3357119 | DTXSID40725068 | AKOS015995114 | DS-2868 | SY114454 | J-512195

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

COC1=C(C=C(C=N1)[N+](=O)[O-])Cl

IUPAC Name

3-chloro-2-methoxy-5-nitropyridine

InChIKey

NYAXJWLJSVLTIX-UHFFFAOYSA-N

INCHI

1S/C6H5ClN2O3/c1-12-6-5(7)2-4(3-8-6)9(10)11/h2-3H,1H3

SMILES isoméricas

COC1=C(C=C(C=N1)[N+](=O)[O-])Cl

Peso molecular

188.57

Reaxy-Rn

1452374

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1452374&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Alkyl aryl ether - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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

Propriedades químicas e físicas

• Peso molecular: 188.570 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 187.999 Da
• Monoisotopic Mass: 187.999 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 173.000
• 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