2-Hydroxynicotinaldehyde - ≥97% , CAS No.36404-89-4

CAS: 36404-89-4 Cat. No.: H169926 Peso molecular: 123.11 Número EC: 832-180-9

GRADE & PURITY ≥97%

Synonyms

AC-23747 | SY021292 | AB55041 | DNTYEVWEOFZXFE-UHFFFAOYSA-N | 2-Hydroxy-pyridine-3-carbaldehyde | 2-oxo-1,2-dihydro-pyridine-3-carbaldehyde | 2-oxo-1,2-dihydropyridine-3-carbaldehyde | MFCD00023766 | DTXSID10427668 | SCHEMBL1413944 | hydroxynicotinaldehyd

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

AC-23747 | SY021292 | AB55041 | DNTYEVWEOFZXFE-UHFFFAOYSA-N | 2-Hydroxy-pyridine-3-carbaldehyde | 2-oxo-1, 2-dihydro-pyridine-3-carbaldehyde | 2-oxo-1, 2-dihydropyridine-3-carbaldehyde | MFCD00023766 | DTXSID10427668 | SCHEMBL1413944 | hydroxynicotinaldehyd

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504764697
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764697
• Sonrisas canónicas: C1=CNC(=O)C(=C1)C=O
• IUPAC Name: 2-oxo-1H-pyridine-3-carbaldehyde
• InChIKey: DNTYEVWEOFZXFE-UHFFFAOYSA-N
• INCHI: 1S/C6H5NO2/c8-4-5-2-1-3-7-6(5)9/h1-4H,(H,7,9)
• Isómeros SMILES: C1=CNC(=O)C(=C1)C=O
• Peso molecular: 123.11
• Reaxy-Rn: 1446702
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446702&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Pyridinones Dihydropyridines Aryl-aldehydes Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridine carboxaldehyde - Dihydropyridine - Pyridinone - Aryl-aldehyde - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde 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

• Sensibilidad: moisture sensitive
• Punto de fusión (°C): 223°C
• Peso molecular: 123.110 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.032 Da
• Monoisotopic Mass: 123.032 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 203.000
• 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