2-Hydroxy-6-methyl-3-nitropyridine - ≥97% , CAS No.39745-39-6

CAS: 39745-39-6 Cat. No.: H120568 Summenformel: C₆H₆N₂O₃ Molekulargewicht: 154.12 EG-Nummer: 625-238-8

GRADE & PURITY ≥97%

Synonyms

6-methyl-3-nitro-2(1h)-pyridinone | AC-23066 | W-200342 | BCP22177 | 6-Hydroxy-5-nitro-2-picoline | 2-hydroxy-3-nitro-6-methylpyridine | DTXSID90337478 | SY011619 | 6-Methyl-3-nitro-2-pyridinol # | J-517779 | N11927 | 2-Hydroxy-3-nitro-6-picoline | 2-Hydr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

6-methyl-3-nitro-2(1h)-pyridinone | AC-23066 | W-200342 | BCP22177 | 6-Hydroxy-5-nitro-2-picoline | 2-hydroxy-3-nitro-6-methylpyridine | DTXSID90337478 | SY011619 | 6-Methyl-3-nitro-2-pyridinol # | J-517779 | N11927 | 2-Hydroxy-3-nitro-6-picoline | 2-Hydr

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528757556
• Kanonisches Lächeln: CC1=CC=C(C(=O)N1)[N+](=O)[O-]
• IUPAC Name: 6-methyl-3-nitro-1H-pyridin-2-one
• InChIKey: YVYDGIGILRUPED-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O3/c1-4-2-3-5(8(10)11)6(9)7-4/h2-3H,1H3,(H,7,9)
• Isomere SMILES: CC1=CC=C(C(=O)N1)[N+](=O)[O-]
• WGK Deutschland: 3
• Molekulargewicht: 154.12
• Reaxy-Rn: 1527623
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1527623&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Ebene5 C-nitro compounds
          • Ebene6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridinones Methylpyridines Dihydropyridines Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Dihydropyridine - Methylpyridine - Pyridinone - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 222-226°C
• Molekulargewicht: 154.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.038 Da
• Monoisotopic Mass: 154.038 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 272.000
• 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