Ácido imidazo[1,2-a]piridina-6-borónico - ≥97% , CAS No.913835-63-9

CAS: 913835-63-9 Cat. No.: I178174 Peso molecular: 161.96 Número EC: 689-914-4

GRADE & PURITY ≥97%

Synonyms

ácido {imidazo[1,2-a]piridin-6-il}borónico | ácido imidazo[1,2-a]piridin-6-ilborónico | MFCD06739225

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

ácido {imidazo[1, 2-a]piridin-6-il}borónico | ácido imidazo[1, 2-a]piridin-6-ilborónico | MFCD06739225

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: B(C1=CN2C=CN=C2C=C1)(O)O
• Peso molecular: 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
    • Clase Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 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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