Ácido imidazo[1,2-a]piridina-5-carboxílico - ≥98% , CAS No.479028-72-3

CAS: 479028-72-3 Cat. No.: I184702 Peso molecular: 162.15 Número EC: 812-910-2

GRADE & PURITY ≥98%

Synonyms

AMY20826 | SCHEMBL21816218 | H-imidazo[1,2-a]pyridine-5-carboxylic acid;Imidazo[1,2-a]pyridine-5-carboxylic Acid | AS-40188 | AKOS005132992 | PB29683 | EN300-109954 | DTXSID70597114 | J-521499 | H-IMIDAZO[1,2-A]PYRIDINE-5-CARBOXYLIC ACID | Imidazo[1,2-a]p

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

AMY20826 | SCHEMBL21816218 | H-imidazo[1, 2-a]pyridine-5-carboxylic acid;Imidazo[1, 2-a]pyridine-5-carboxylic Acid | AS-40188 | AKOS005132992 | PB29683 | EN300-109954 | DTXSID70597114 | J-521499 | H-IMIDAZO[1, 2-A]PYRIDINE-5-CARBOXYLIC ACID | Imidazo[1, 2-a]p

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=NC=CN2C(=C1)C(=O)O
• IUPAC Name: imidazo[1,2-a]pyridine-5-carboxylic acid
• InChIKey: IAXRYEXXAPLEGT-UHFFFAOYSA-N
• INCHI: 1S/C8H6N2O2/c11-8(12)6-2-1-3-7-9-4-5-10(6)7/h1-5H,(H,11,12)
• Isómeros SMILES: C1=CC2=NC=CN2C(=C1)C(=O)O
• Peso molecular: 162.15
• Reaxy-Rn: 18360607
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18360607&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 Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Imidazo[1,2-a]pyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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: 162.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.043 Da
• Monoisotopic Mass: 162.043 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 195.000
• 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