Ethyl 6-bromo-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate - ≥95% , CAS No.1260763-32-3

CAS: 1260763-32-3 Cat. No.: E180754 Peso molecular: 287.1

GRADE & PURITY ≥95%

Synonyms

AKOS015834241 | Ethyl 6-bromo-8-fluoroimidazo-[1,2-a]pyridine-2-carboxylate | Ethyl 6-bromo-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate | MFCD13195312 | Imidazo[1,2-a]pyridine-2-carboxylic acid, 6-bromo-8-fluoro-, ethyl ester | 6-Bromo-8-fluoroimidazo[1,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015834241 | Ethyl 6-bromo-8-fluoroimidazo-[1, 2-a]pyridine-2-carboxylate | Ethyl 6-bromo-8-fluoroimidazo[1, 2-a]pyridine-2-carboxylate | MFCD13195312 | Imidazo[1, 2-a]pyridine-2-carboxylic acid, 6-bromo-8-fluoro-, ethyl ester | 6-Bromo-8-fluoroimidazo[1,

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=CN2C=C(C=C(C2=N1)F)Br
• IUPAC Name: ethyl 6-bromo-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
• InChIKey: VBZNHZQNPCVRMD-UHFFFAOYSA-N
• INCHI: 1S/C10H8BrFN2O2/c1-2-16-10(15)8-5-14-4-6(11)3-7(12)9(14)13-8/h3-5H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C1=CN2C=C(C=C(C2=N1)F)Br
• Peso molecular: 287.1
• Reaxy-Rn: 56949921
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56949921&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 Polyhalopyridines Carbonylimidazoles Aryl bromides Aryl fluorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organobromides Organooxygen compounds Organofluorides Organonitrogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Polyhalopyridine - Imidazole-4-carbonyl group - Aryl bromide - Aryl fluoride - Aryl halide - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - 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: 287.080 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 285.975 Da
• Monoisotopic Mass: 285.975 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 280.000
• 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