Imidazo[1,2-a]pyridine-6-boronic acid - ≥97% , CAS No.913835-63-9

CAS: 913835-63-9 Cat. No.: I178174 Molecular Weight: 161.96 EC Number: 689-914-4

GRADE & PURITY ≥97%

Synonyms

{imidazo[1,2-a]pyridin-6-yl}boronic acid | imidazo[1,2-a]pyridin-6-ylboronic acid | MFCD06739225

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

{imidazo[1, 2-a]pyridin-6-yl}boronic acid | imidazo[1, 2-a]pyridin-6-ylboronic acid | MFCD06739225

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B(C1=CN2C=CN=C2C=C1)(O)O
• IUPAC Name: imidazo[1,2-a]pyridin-6-ylboronic acid
• InChIKey: IPJIKGJKMCILGV-UHFFFAOYSA-N
• INCHI: 1S/C7H7BN2O2/c11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-5,11-12H
• Isomeric SMILES: B(C1=CN2C=CN=C2C=C1)(O)O
• Molecular Weight: 161.96
• Reaxy-Rn: 18349579
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18349579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Pyridines and derivatives N-substituted imidazoles Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Imidazo[1,2-a]pyridine - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Organic metalloid salt - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 161.960 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.06 Da
• Monoisotopic Mass: 162.06 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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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