2-Hydroxy-4-methylpyridine - ≥98% , CAS No.13466-41-6

CAS: 13466-41-6 Cat. No.: H115748 Molecular Weight: 109.13 Beilstein Registry Number: 21(2)36 EC Number: 627-289-1

GRADE & PURITY ≥98%

Synonyms

2(1H)-Pyridinone, 4-methyl- | SCHEMBL245430 | 4-Methyl-2-pyridinone | F8880-7854 | BP-12688 | AC-5128 | 4-(morpholinosulfonyl)aniline, AldrichCPR | 4-Methylpyridin-2-one | BBL102829 | CHEBI:194825 | 4-methyl-1,2-dihydropyridin-2-one | diethyl 4-(furan-2-y

Storage

Room temperature

Shipped In

Normal

Overview

2-Hydroxy-4-methylpyridine is suitable for use in a study to investigate the equilibrium of self-association of 2-pyrrolidone (A) and 2-hydroxyl-4-methyl-pyridine (B), also the hetero-association between A and B in [2H3] acetonitrile by NMR.

Specifications

Synonyms

2(1H)-Pyridinone, 4-methyl- | SCHEMBL245430 | 4-Methyl-2-pyridinone | F8880-7854 | BP-12688 | AC-5128 | 4-(morpholinosulfonyl)aniline, AldrichCPR | 4-Methylpyridin-2-one | BBL102829 | CHEBI:194825 | 4-methyl-1, 2-dihydropyridin-2-one | diethyl 4-(furan-2-y

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189231
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189231
• Canonical Smiles: CC1=CC(=O)NC=C1
• IUPAC Name: 4-methyl-1H-pyridin-2-one
• InChIKey: YBDRFJXGJQULGH-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
• Isomeric SMILES: CC1=CC(=O)NC=C1
• WGK Germany: 3
• Molecular Weight: 109.13
• Beilstein: 21(2)36
• Reaxy-Rn: 1362970
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362970&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 186-187°C
• Melt Point(°C): 131-134°C
• Molecular Weight: 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