2,6-Dihydroxypyridine - ≥97% , CAS No.626-06-2

CAS: 626-06-2 Cat. No.: D304190 Fórmula: C₅H₅NO₂ Peso molecular: 111.10

GRAU & PUREZA ≥97%

Synonyms

DIHYDROXYPYRIDINE, 2,6- | EINECS 210-927-4 | 2(1H)-Pyridinone, 6-hydroxy- | C03056 | SCHEMBL128525 | FT-0601051 | MFCD00129028 | 2-HYDROXY-6-PYRIDINONE | 6-hydroxy-1H-pyridin-2-one | Pyridine-2,6-diol | SY004410 | AS-31062 | 6-Hydroxy-2(1H)-pyridinone # |

Storage

Room temperature,Desiccated

Shipped In

Normal

Especificações

Sinónimos

DIHYDROXYPYRIDINE, 2,6- | EINECS 210-927-4 | 2(1H)-Pyridinone, 6-hydroxy- | C03056 | SCHEMBL128525 | FT-0601051 | MFCD00129028 | 2-HYDROXY-6-PYRIDINONE | 6-hydroxy-1H-pyridin-2-one | Pyridine-2,6-diol | SY004410 | AS-31062 | 6-Hydroxy-2(1H)-pyridinone # |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504754376

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754376

Sorrisos canónicos

C1=CC(=O)NC(=C1)O

IUPAC Name

6-hydroxy-1H-pyridin-2-one

InChIKey

WLFXSECCHULRRO-UHFFFAOYSA-N

INCHI

1S/C5H5NO2/c7-4-2-1-3-5(8)6-4/h1-3H,(H2,6,7,8)

SMILES isoméricas

C1=CC(=O)NC(=C1)O

Peso molecular

111.10

Reaxy-Rn

1524318

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524318&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Hydroxypyridines Dihydropyridines Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyridine - Pyridinone - Dihydropyridine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• External Descriptors: a small molecule

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 111.100 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.032 Da
• Monoisotopic Mass: 111.032 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 169.000
• 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