2-Hydroxy-4-methoxy-5-nitropyridine - ≥95% , CAS No.607373-82-0

CAS: 607373-82-0 Cat. No.: H185528 Formula: C₆H₆N₂O₄ Molecular Weight: 170.1 EC Number: 691-615-9

GRADE & PURITY ≥95%

Synonyms

4-methoxy-5-nitro-1H-pyridin-2-one;2-Hydroxy-4-methoxy-5-nitropyridine | 2-Hydroxy-4-methoxy-5-nitropyridine | 4-methoxy-5-nitropyridin-2-ol | 4-methoxy-5-nitro-1,2-dihydropyridin-2-one | SB11189 | DS-2704 | MFCD07367779 | 5-NITRO-2-HYDROXY-4-METHOXYPYRID

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4-methoxy-5-nitro-1H-pyridin-2-one;2-Hydroxy-4-methoxy-5-nitropyridine | 2-Hydroxy-4-methoxy-5-nitropyridine | 4-methoxy-5-nitropyridin-2-ol | 4-methoxy-5-nitro-1,2-dihydropyridin-2-one | SB11189 | DS-2704 | MFCD07367779 | 5-NITRO-2-HYDROXY-4-METHOXYPYRID

Specifications & Purity

≥95%

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC1=CC(=O)NC=C1[N+](=O)[O-]
• IUPAC Name: 4-methoxy-5-nitro-1H-pyridin-2-one
• InChIKey: BBXOGUKAXIFZAE-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O4/c1-12-5-2-6(9)7-3-4(5)8(10)11/h2-3H,1H3,(H,7,9)
• Isomeric SMILES: COC1=CC(=O)NC=C1[N+](=O)[O-]
• Molecular Weight: 170.1
• Reaxy-Rn: 27575160
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27575160&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class 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
• Class: 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 Vinylogous esters 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 - Vinylogous ester - Lactam - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic oxide - Organic salt - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 170.120 g/mol
• XLogP3: -0.600
• 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