2,4-Dihydroxypyridine - ≥97% , CAS No.626-03-9

CAS: 626-03-9 Cat. No.: D110324 Molecular Weight: 111.1 Beilstein Registry Number: 108533 EC Number: 210-924-8

GRADE & PURITY ≥97%

Synonyms

AC-1001 | J-640104 | NSC 119859 | Pyridine-24-diol | SB52230 | 4-Hydroxypyridin-2(1H)-one | AKOS005254611 | 4-Hydroxy-2(1H)-pyridinone | FT-0692141 | PS-4683 | 2(1H)-Pyridone, 4-hydroxy- | 2-hydroxypyridin-4(1H)-one | BP-11396 | Palmitin, 1,2-di-, 2-amino

Storage

Room temperature

Shipped In

Normal

Overview

2,4-Dihydroxypyridine (3-deazauracil) is a potent inhibitor of dihydrouracil dehydrogenase

Specifications

Synonyms

AC-1001 | J-640104 | NSC 119859 | Pyridine-24-diol | SB52230 | 4-Hydroxypyridin-2(1H)-one | AKOS005254611 | 4-Hydroxy-2(1H)-pyridinone | FT-0692141 | PS-4683 | 2(1H)-Pyridone, 4-hydroxy- | 2-hydroxypyridin-4(1H)-one | BP-11396 | Palmitin, 1, 2-di-, 2-amino

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488201712
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201712
• Canonical Smiles: C1=CNC(=O)C=C1O
• IUPAC Name: 4-hydroxy-1H-pyridin-2-one
• InChIKey: ZEZJPIDPVXJEME-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
• Isomeric SMILES: C1=CNC(=O)C=C1O
• WGK Germany: 3
• RTECS: UV1146800
• Alternate CAS: 84719-31-3
• Molecular Weight: 111.1
• Beilstein: 108533
• Reaxy-Rn: 1524509
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524509&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: Hydroxypyridines Dihydropyridines Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyridine - Pyridinone - Dihydropyridine - Heteroaromatic compound - Vinylogous acid - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen 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

Chemical and Physical Properties

• Solubility: Solubility in hot Water almost transparency
• Molecular Weight: 111.100 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.032 Da
• Monoisotopic Mass: 111.032 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 169.000
• 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

References

1. Channa Wang, Fuzhu Liu, Mingjin Du, Mi Zhang, Xiangdong Ding, Changsheng Xiang.  (2024)  Graphitic nitrogen induced identical fluorescent emission of carbon dots for scalable anti-counterfeiting applications.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D4TA07743A]