6-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid - ≥98% , CAS No.182181-19-7

CAS: 182181-19-7 Cat. No.: C483532 Peso molecular: 196.59 Número EC: 673-339-0

GRADE & PURITY ≥98%

Synonyms

J-518613 | 6-Chloroimidazo[1,2-a]pyridine-2-carboxylicAcid | MFCD02186559 | 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;6-Chloroimidazo[1,2-a]pyridine-2-carboxylic Acid | AKOS000303425 | STK716507 | IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID, 6-CHLORO- | Y

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

J-518613 | 6-Chloroimidazo[1, 2-a]pyridine-2-carboxylicAcid | MFCD02186559 | 6-chloroimidazo[1, 2-a]pyridine-2-carboxylate;6-Chloroimidazo[1, 2-a]pyridine-2-carboxylic Acid | AKOS000303425 | STK716507 | IMIDAZO[1, 2-A]PYRIDINE-2-CARBOXYLIC ACID, 6-CHLORO- | Y

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Pubchem Sid: 504761508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761508
• Sonrisas canónicas: C1=CC2=NC(=CN2C=C1Cl)C(=O)O
• IUPAC Name: 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
• InChIKey: YZBKAIKDSQEETA-UHFFFAOYSA-N
• INCHI: 1S/C8H5ClN2O2/c9-5-1-2-7-10-6(8(12)13)4-11(7)3-5/h1-4H,(H,12,13)
• Isómeros SMILES: C1=CC2=NC(=CN2C=C1Cl)C(=O)O
• Peso molecular: 196.59
• Reaxy-Rn: 13832642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13832642&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 Carbonylimidazoles Aryl chlorides Pyridines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Imidazole-4-carbonyl group - Aryl chloride - Aryl halide - Pyridine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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

• Punto de fusión (°C): 246-247°C
• Peso molecular: 196.590 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 196.004 Da
• Monoisotopic Mass: 196.004 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 224.000
• 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