(2-Hydroxypyridin-4-yl)boronic acid（contains varying amounts of Anhydride） - ≥98% , CAS No.902148-83-8

CAS: 902148-83-8 Cat. No.: H590640 Molecular Weight: 138.92 EC Number: 823-997-1

GRADE & PURITY ≥98%

Synonyms

DTXSID50634894 | 4-Boronopyridin-2-ol | AKOS006308264 | 2-Hydroxypyridine-4-boronic acid | SCHEMBL13921938 | (2-Hydroxypyridin-4-yl)boronicacid | 2-oxo-1,2-dihydropyridin-4-ylboronic acid | FT-0710047 | B-(1,2-Dihydro-2-oxo-pyridin-4-yl)boronic acid | MFC

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DTXSID50634894 | 4-Boronopyridin-2-ol | AKOS006308264 | 2-Hydroxypyridine-4-boronic acid | SCHEMBL13921938 | (2-Hydroxypyridin-4-yl)boronicacid | 2-oxo-1, 2-dihydropyridin-4-ylboronic acid | FT-0710047 | B-(1, 2-Dihydro-2-oxo-pyridin-4-yl)boronic acid | MFC

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: B(C1=CC(=O)NC=C1)(O)O
• IUPAC Name: (2-oxo-1H-pyridin-4-yl)boronic acid
• InChIKey: JCYJDDDSHUVYNE-UHFFFAOYSA-N
• INCHI: 1S/C5H6BNO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3,9-10H,(H,7,8)
• Isomeric SMILES: B(C1=CC(=O)NC=C1)(O)O
• Molecular Weight: 138.92
• Reaxy-Rn: 20521057
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20521057&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 Heteroaromatic compounds Lactams Boronic acids Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Pyridinone - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Lactam - Organic metalloid salt - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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

• Molecular Weight: 138.920 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.044 Da
• Monoisotopic Mass: 139.044 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 209.000
• 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

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