6-Hydroxypyridine-3-boronic acid pinacol ester - ≥97% , CAS No.1054483-78-1

CAS: 1054483-78-1 Cat. No.: P768551 Molecular Weight: 221.06 EC Number: 690-572-3 PubChem CID: 17750253

GRADE & PURITY ≥97%

Synonyms

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

5-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridin-2-ol | 5-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridin-2(1H)-one

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CNC(=O)C=C2
• IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
• InChIKey: WAUWXCUPDOXYKS-UHFFFAOYSA-N
• INCHI: 1S/C11H16BNO3/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(14)13-7-8/h5-7H,1-4H3,(H,13,14)
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CNC(=O)C=C2
• WGK Germany: 2
• PubChem CID: 17750253
• Molecular Weight: 221.06

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 Dioxaborolanes Boronic acid esters Lactams Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Pyridinone - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Lactam - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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

• Molecular Weight: 221.060 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 221.122 Da
• Monoisotopic Mass: 221.122 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 369.000
• 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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