2-Hydroxy-3-nitropyridine - ≥98%(HPLC) , CAS No.6332-56-5

CAS: 6332-56-5 Cat. No.: H134518 Peso molecular: 140.1 Beilstein Registry Number: 21(5)7,143 Número EC: 228-709-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-nitropyridin-2(1H)-one | FT-0612540 | 2-Hydroxy-3-nitropyridine, 98% | AM20061396 | EN300-57165 | AC-16623 | A807227 | GS-6877 | 3-nitro-1H-pyridin-2-one | 2(1H)-Pyridinone, 3-nitro- | Pyridine, 2-hydroxy-3-nitro | 2-Hydroxy-3-nitropyridine | 2-Hydroxy-

Storage

Room temperature

Shipped In

Normal

Descripción general

It reacts with phosphorus pentachloride and phosphoryl chloride to yield 2-chloro-3-nitropyridine.
It was used in the synthesis of:3-nitro-2-pyridyl β-D-galactoside;3-nitro-2-pyridyl N-acetyl-β-D-glucosaminide;5-amino-6-chloro-3-iodopyridine

Specifications

Sinónimos

3-nitropyridin-2(1H)-one | FT-0612540 | 2-Hydroxy-3-nitropyridine, 98% | AM20061396 | EN300-57165 | AC-16623 | A807227 | GS-6877 | 3-nitro-1H-pyridin-2-one | 2(1H)-Pyridinone, 3-nitro- | Pyridine, 2-hydroxy-3-nitro | 2-Hydroxy-3-nitropyridine | 2-Hydroxy-

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488182786
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182786
• Sonrisas canónicas: C1=CNC(=O)C(=C1)[N+](=O)[O-]
• IUPAC Name: 3-nitro-1H-pyridin-2-one
• InChIKey: BOAFCICMVMFLIT-UHFFFAOYSA-N
• INCHI: 1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)
• Isómeros SMILES: C1=CNC(=O)C(=C1)[N+](=O)[O-]
• WGK Alemania: 3
• RTECS: UU7718000
• Peso molecular: 140.1
• Beilstein: 21(5)7,143
• Reaxy-Rn: 1526255
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1526255&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 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 - Pyridinone - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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

• Punto de fusión (°C): 226 °C
• Peso molecular: 140.100 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 140.022 Da
• Monoisotopic Mass: 140.022 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 236.000
• 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