2-Hydroxy-3-methylpyridine - ≥98%(GC) , CAS No.1003-56-1

CAS: 1003-56-1 Cat. No.: H124768 分子式: C₆H₇NO 分子量: 109.13 Beilstein Registry Number: 1422044 EC番号: 213-710-2

GRADE & PURITY ≥98%(GC)

Synonyms

AS-17402 | Cavalite Black B | 2-Hydroxy-3-methylpyridine | 2-hydroxy-3-methyl-pyridine | A844099 | D97281 | V7W6L6R35U | 2-HYDROXY-3-PICOLINE | AC-6248 | Methylpyridon | NSC4343 | NSC-4343 | SY020532 | CHEBI:194930 | 3-Methyl-2(1H)-pyridinone | NSC 4343 |

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AS-17402 | Cavalite Black B | 2-Hydroxy-3-methylpyridine | 2-hydroxy-3-methyl-pyridine | A844099 | D97281 | V7W6L6R35U | 2-HYDROXY-3-PICOLINE | AC-6248 | Methylpyridon | NSC4343 | NSC-4343 | SY020532 | CHEBI:194930 | 3-Methyl-2(1H)-pyridinone | NSC 4343 |

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488184544
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184544
• カノニカル・スマイル: CC1=CC=CNC1=O
• IUPAC Name: 3-methyl-1H-pyridin-2-one
• InChIKey: MVKDNXIKAWKCCS-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
• 異性体SMILES: CC1=CC=CNC1=O
• WGKドイツ: 3
• 分子量: 109.13
• Beilstein: 1422044
• Reaxy-Rn: 1422044
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1422044&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 融点（°C）: 137-142°C
• 分子量: 109.130 g/mol
• XLogP3: 0.600
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 1003-56-1, the molecular formula is C6H7NO, and the molecular weight is 109.13 g/mol. InChIKey MVKDNXIKAWKCCS-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.