3-Hydroxypyridine-N-oxide - ≥96% , CAS No.6602-28-4

CAS: 6602-28-4 Cat. No.: H137661 Summenformel: C₅H₅NO₂ Molekulargewicht: 111.1 Beilstein Registry Number: 21(3/4)412 EG-Nummer: 229-545-4

GRADE & PURITY ≥96%

Synonyms

SCHEMBL174893 | DTXSID70216237 | H0492 | 3-Hydroxypyridine-N-oxide | InChI=1/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7 | AC-907/25014065 | hydroxypyridine N-oxide | 3-Hydroxypyridine N-oxide | 3-Pyridinol N-oxide | 3-Pyridinol-1-oxide | J-512657 | AKOS015906414 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL174893 | DTXSID70216237 | H0492 | 3-Hydroxypyridine-N-oxide | InChI=1/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7 | AC-907/25014065 | hydroxypyridine N-oxide | 3-Hydroxypyridine N-oxide | 3-Pyridinol N-oxide | 3-Pyridinol-1-oxide | J-512657 | AKOS015906414 |

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488182800

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182800

Kanonisches Lächeln

C1=CC(=C[N+](=C1)[O-])O

IUPAC Name

1-oxidopyridin-1-ium-3-ol

InChIKey

YMEZKRMAPQIBQH-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC(=C[N+](=C1)[O-])O

WGK Deutschland

3

RTECS

UU7719100

Molekulargewicht

111.1

Beilstein

21(3/4)412

Reaxy-Rn

107683

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Hydroxypyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Hydroxypyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyridines
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyridine - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl 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

• Empfindlichkeit: Hygroscopic
• Schmelzpunkt (°C): 190 °C
• Molekulargewicht: 111.100 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.032 Da
• Monoisotopic Mass: 111.032 Da
• Topological Polar Surface Area: 45.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.800
• 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