7-methylimidazo[1,2-a]pyridine-2-carboxylic acid - ≥95% , CAS No.80353-94-2

CAS: 80353-94-2 Cat. No.: M337500 Peso molecular: 176.18 Número EC: 851-371-8

GRADE & PURITY ≥95%

Synonyms

Bionet2_001134 | 7-Methylimidazo[1,2-a]pyridine-2-carboxylic acid, AldrichCPR | AM20070241 | FT-0745651 | SCHEMBL1759007 | J-519317 | 7-methyl-2-imidazo[1,2-a]pyridinecarboxylic acid | F9995-2683 | MFCD13194051 | 7-methylimidazo[1,2-a]pyridine-2-carboxyli

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Bionet2_001134 | 7-Methylimidazo[1, 2-a]pyridine-2-carboxylic acid, AldrichCPR | AM20070241 | FT-0745651 | SCHEMBL1759007 | J-519317 | 7-methyl-2-imidazo[1, 2-a]pyridinecarboxylic acid | F9995-2683 | MFCD13194051 | 7-methylimidazo[1, 2-a]pyridine-2-carboxyli

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

• Sonrisas canónicas: CC1=CC2=NC(=CN2C=C1)C(=O)O
• IUPAC Name: 7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• InChIKey: GWOWWQVYWZHBRI-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O2/c1-6-2-3-11-5-7(9(12)13)10-8(11)4-6/h2-5H,1H3,(H,12,13)
• Isómeros SMILES: CC1=CC2=NC(=CN2C=C1)C(=O)O
• Peso molecular: 176.18
• Reaxy-Rn: 6720625
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6720625&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 Methylpyridines Carbonylimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Imidazo[1,2-a]pyridine - Imidazole-4-carbonyl group - Methylpyridine - N-substituted imidazole - Pyridine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - 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: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.059 Da
• Monoisotopic Mass: 176.059 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 220.000
• 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