6-Methoxy-3-nitropyridin-2(1H)-one - ≥98% , CAS No.26149-11-1

CAS: 26149-11-1 Cat. No.: M490125 Peso molecular: 170.12

GRADE & PURITY ≥98%

Synonyms

BBA14911 | SCHEMBL14896232 | AKOS006281623 | 6-Methoxy-3-nitropyridin-2-ol | FT-0710036 | A1-07245 | 6-Methoxy-3-nitropyridin-2(1H)-one | AMY6240 | AKOS037645726 | 6-methoxy-3-nitro-1,2-dihydropyridin-2-one | RYLKVLKLMVFOBM-UHFFFAOYSA-N | D73317 | 6-metho

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BBA14911 | SCHEMBL14896232 | AKOS006281623 | 6-Methoxy-3-nitropyridin-2-ol | FT-0710036 | A1-07245 | 6-Methoxy-3-nitropyridin-2(1H)-one | AMY6240 | AKOS037645726 | 6-methoxy-3-nitro-1, 2-dihydropyridin-2-one | RYLKVLKLMVFOBM-UHFFFAOYSA-N | D73317 | 6-metho

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194571
• Sonrisas canónicas: COC1=CC=C(C(=O)N1)[N+](=O)[O-]
• IUPAC Name: 6-methoxy-3-nitro-1H-pyridin-2-one
• InChIKey: RYLKVLKLMVFOBM-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O4/c1-12-5-3-2-4(8(10)11)6(9)7-5/h2-3H,1H3,(H,7,9)
• Isómeros SMILES: COC1=CC=C(C(=O)N1)[N+](=O)[O-]
• Peso molecular: 170.12
• Reaxy-Rn: 1455118
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1455118&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Clase 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
• Clase: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridinones Dihydropyridines Alkyl aryl ethers Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Alkyl aryl ether - Dihydropyridine - Pyridinone - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Ether - Organoheterocyclic compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 170.120 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 170.033 Da
• Monoisotopic Mass: 170.033 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 286.000
• 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