5-Chloro-2-hydroxypyridine - ≥98%(GC) , CAS No.4214-79-3

CAS: 4214-79-3 Cat. No.: C136324 Molecular Weight: 129.54 Beilstein Registry Number: 21(2)32 EC Number: 224-146-1

GRADE & PURITY ≥98%(GC)

Synonyms

5-chloro-1,2-dihydropyridin-2-one | 5-Chloro-2-pyridol | A26150 | SCHEMBL246256 | 5-chloro-pyridin-2-ol | 5-Chloropyridin-2-ol | MFCD00017128 | 5-Chloro-2(1h)-pyridinone;2-Pyridinol,6-chloro-(9CI);6-chloropyridone | Q-103395 | AC-907/25014042 | EU-0066770

Storage

Room temperature

Shipped In

Normal

Overview

5-chloro-2-hydroxypyridine acts as donor ligand and exists in zwitterionic form, i.e. 5-chloropyridinium-2-olate in copper complexes
Usually used to study the effect of dicumarol on xanthine dehydrogenase and mechanism of mitomycin C bioreduction by xanthine dehydrogenase.

Specifications

Synonyms

5-chloro-1, 2-dihydropyridin-2-one | 5-Chloro-2-pyridol | A26150 | SCHEMBL246256 | 5-chloro-pyridin-2-ol | 5-Chloropyridin-2-ol | MFCD00017128 | 5-Chloro-2(1h)-pyridinone;2-Pyridinol, 6-chloro-(9CI);6-chloropyridone | Q-103395 | AC-907/25014042 | EU-0066770

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504755222
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755222
• Canonical Smiles: C1=CC(=O)NC=C1Cl
• IUPAC Name: 5-chloro-1H-pyridin-2-one
• InChIKey: SZFUWUOHDRMCKD-UHFFFAOYSA-N
• INCHI: 1S/C5H4ClNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
• Isomeric SMILES: C1=CC(=O)NC=C1Cl
• WGK Germany: 3
• Molecular Weight: 129.54
• Beilstein: 21(2)32
• Reaxy-Rn: 1363510
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1363510&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: Dihydropyridines Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Pyridinone - Aryl chloride - Aryl halide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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

• Solubility: Solubility in hot Water within almost transparency
• Melt Point(°C): 164 °C
• Molecular Weight: 129.539 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.998 Da
• Monoisotopic Mass: 128.998 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 171.000
• 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