[1,2,4]Triazolo[1,5-a]pyridine-6-boronic acid pinacol ester - ≥95% , CAS No.1160790-18-0

CAS: 1160790-18-0 Cat. No.: T166164 Molecular Weight: 245.09 EC Number: 835-663-2 PubChem CID: 58446374

GRADE & PURITY ≥95%

Synonyms

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine | 6-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine | [1,2,4]TRIAZOLO[1,5-A]PYRIDINE-6-BORONIC ACID PINACOL ESTER | MFCD16659797

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

6-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-[1, 2, 4]triazolo[1, 5-a]pyridine | 6-(4, 4, 5, 5-Tetramethyl-[1, 3, 2]dioxaborolan-2-yl)-[1, 2, 4]triazolo[1, 5-a]pyridine | [1, 2, 4]TRIAZOLO[1, 5-A]PYRIDINE-6-BORONIC ACID PINACOL ESTER | MFCD16659797

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CN3C(=NC=N3)C=C2
• IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
• InChIKey: QXPSJGKDBGYOEX-UHFFFAOYSA-N
• INCHI: 1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-5-6-10-14-8-15-16(10)7-9/h5-8H,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN3C(=NC=N3)C=C2
• WGK Germany: 3
• PubChem CID: 58446374
• Molecular Weight: 245.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyridines
• Alternative Parents: Pyridines and derivatives Triazoles Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyridine - Pyridine - Azole - Boronic acid ester - 1,3,2-dioxaborolane - 1,2,4-triazole - Heteroaromatic compound - Boronic acid derivative - Organic metalloid salt - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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: 245.090 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 245.134 Da
• Monoisotopic Mass: 245.134 Da
• Topological Polar Surface Area: 48.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 321.000
• 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

XLogP3