8-(Benzyloxy)-3-chloroimidazo[1,2-a]pyridine , CAS No.1373350-40-3

CAS: 1373350-40-3 Cat. No.: B1270262 Peso molecular: 258.71 PubChem CID: 66545109

Storage

Room temperature

Shipped In

Normal

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COC2=CC=CN3C2=NC=C3Cl
• IUPAC Name: 3-chloro-8-phenylmethoxyimidazo[1,2-a]pyridine
• InChIKey: FRVRMNWDDJGQTH-UHFFFAOYSA-N
• INCHI: 1S/C14H11ClN2O/c15-13-9-16-14-12(7-4-8-17(13)14)18-10-11-5-2-1-3-6-11/h1-9H,10H2
• Isómeros SMILES: C1=CC=C(C=C1)COC2=CC=CN3C2=NC=C3Cl
• PubChem CID: 66545109
• Peso molecular: 258.71

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 Alkyl aryl ethers Pyridines and derivatives N-substituted imidazoles Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organohalogen 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

• Peso molecular: 258.700 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 258.056 Da
• Monoisotopic Mass: 258.056 Da
• Topological Polar Surface Area: 26.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 271.000
• 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