2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine - ≥95% , CAS No.908350-80-1

CAS: 908350-80-1 Cat. No.: T195763 Molecular Weight: 281.16 EC Number: 845-970-3 PubChem CID: 53482118

GRADE & PURITY ≥95%

Synonyms

2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 4-(pyridin-2-yl)phenylboronate;4-(2-Pyridinyl)phenylboronic acid pinacol ester | FT-0742034 | 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phe

Shipped In

Normal

Specifications

Synonyms

2-(4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenyl)pyridine;3-hydroxy-2, 3-dimethylbutan-2-yl hydrogen 4-(pyridin-2-yl)phenylboronate;4-(2-Pyridinyl)phenylboronic acid pinacol ester | FT-0742034 | 2-(4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phe

Specifications & Purity

≥95%

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488201642
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC=CC=N3
• IUPAC Name: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
• InChIKey: CMGIUUPUDMXXLT-UHFFFAOYSA-N
• INCHI: 1S/C17H20BNO2/c1-16(2)17(3,4)21-18(20-16)14-10-8-13(9-11-14)15-7-5-6-12-19-15/h5-12H,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC=CC=N3
• PubChem CID: 53482118
• Molecular Weight: 281.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Monocyclic benzene moiety - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Azacycle - Organic metalloid salt - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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: 281.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 281.159 Da
• Monoisotopic Mass: 281.159 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 348.000
• 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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