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

CAS: 607373-82-0 Cat. No.: H185528 분자식: C₆H₆N₂O₄ 분자량: 170.1 EC 번호: 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

동의어

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

사양 및 순도

≥95%

보관 조건

Store at -20°C,Argon charged,Desiccated

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

• 정식 스마일: 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)
• 이성체 SMILES: COC1=CC(=O)NC=C1[N+](=O)[O-]
• 분자량: 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
    • 분류 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
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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