Methyl imidazo[1,2-a]pyridine-8-carboxylate - ≥95% , CAS No.133427-07-3

CAS: 133427-07-3 Cat. No.: I181218 Peso molecular: 176.17 Número EC: 890-049-1

GRADE & PURITY ≥95%

Synonyms

MFCD09842621 | SCHEMBL1878367 | Imidazo[1,2-a]pyridine-8-carboxylic acid methyl ester hydrochloride | FA-0856 | P10804 | UJLRMEAGEVCFNJ-UHFFFAOYSA-N | Methyl Imidazo[1,2-a]pyridine-8-carboxylate | AKOS015993975 | Methylimidazo[1,2-a]pyridine-8-carboxylate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

MFCD09842621 | SCHEMBL1878367 | Imidazo[1, 2-a]pyridine-8-carboxylic acid methyl ester hydrochloride | FA-0856 | P10804 | UJLRMEAGEVCFNJ-UHFFFAOYSA-N | Methyl Imidazo[1, 2-a]pyridine-8-carboxylate | AKOS015993975 | Methylimidazo[1, 2-a]pyridine-8-carboxylate

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488198804
• Sonrisas canónicas: COC(=O)C1=CC=CN2C1=NC=C2
• IUPAC Name: methyl imidazo[1,2-a]pyridine-8-carboxylate
• InChIKey: UJLRMEAGEVCFNJ-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O2/c1-13-9(12)7-3-2-5-11-6-4-10-8(7)11/h2-6H,1H3
• Isómeros SMILES: COC(=O)C1=CC=CN2C1=NC=C2
• Peso molecular: 176.17
• Reaxy-Rn: 4803057
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4803057&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: Pyridinecarboxylic acids Imidazo[1,2-a]pyridines N-substituted imidazoles Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Imidazo[1,2-a]pyridine - N-substituted imidazole - Pyridine - Imidazole - Azole - Heteroaromatic compound - Methyl ester - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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

• Peso molecular: 176.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 176.059 Da
• Monoisotopic Mass: 176.059 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 208.000
• 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