2-Hydroxy-5-methylpyridine - ≥97% , CAS No.1003-68-5

CAS: 1003-68-5 Cat. No.: H107715 Fórmula: C₆H₇NO Peso molecular: 109.13 Beilstein Registry Number: 21(3/4)497 Número EC: 213-713-9

GRADE & PURITY ≥97%

Synonyms

5-Methyl-2-pyridone | 5-methylpyridone | CHEBI:194862 | FT-0620595 | H1167 | AKOS000271626 | SOHMZGMHXUQHGE-UHFFFAOYSA- | BCP20199 | Foluite | InChI=1/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8) | 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1H

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-Methyl-2-pyridone | 5-methylpyridone | CHEBI:194862 | FT-0620595 | H1167 | AKOS000271626 | SOHMZGMHXUQHGE-UHFFFAOYSA- | BCP20199 | Foluite | InChI=1/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8) | 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1H

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488184545
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184545
• Sonrisas canónicas: CC1=CNC(=O)C=C1
• IUPAC Name: 5-methyl-1H-pyridin-2-one
• InChIKey: SOHMZGMHXUQHGE-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
• Isómeros SMILES: CC1=CNC(=O)C=C1
• WGK Alemania: 3
• CAS alternativo: 91914-06-6
• Peso molecular: 109.13
• Beilstein: 21(3/4)497
• Reaxy-Rn: 1422404
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1422404&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Methylpyridines Dihydropyridines Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - 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
• Descripción: 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: 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 183-187°C
• Peso molecular: 109.130 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 109.053 Da
• Monoisotopic Mass: 109.053 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 167.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1003-68-5, the molecular formula is C6H7NO, and the molecular weight is 109.13 g/mol. InChIKey SOHMZGMHXUQHGE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.