7-methylimidazo[1,2-a]pyridine-3-carboxylic acid - ≥97% , CAS No.21801-80-9

CAS: 21801-80-9 Cat. No.: M632058 Molecular Weight: 176.18 EC Number: 839-884-5 PubChem CID: 21116451

GRADE & PURITY ≥97%

Synonyms

WAA80180 | BXALETSPBUTZAS-UHFFFAOYSA-N | W16777 | Z1198158126 | SY040909 | 7-methyl-Imidazo[1,2-a]pyridine-3-carboxylic acid | 7-methylimidazo[1,2-a]pyridine-3-carboxylic acid | EN300-121248 | FT-0734635 | SCHEMBL14740159 | MFCD01720461 | AB09863 | AKOS00

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

WAA80180 | BXALETSPBUTZAS-UHFFFAOYSA-N | W16777 | Z1198158126 | SY040909 | 7-methyl-Imidazo[1, 2-a]pyridine-3-carboxylic acid | 7-methylimidazo[1, 2-a]pyridine-3-carboxylic acid | EN300-121248 | FT-0734635 | SCHEMBL14740159 | MFCD01720461 | AB09863 | AKOS00

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC2=NC=C(N2C=C1)C(=O)O
• IUPAC Name: 7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
• InChIKey: BXALETSPBUTZAS-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O2/c1-6-2-3-11-7(9(12)13)5-10-8(11)4-6/h2-5H,1H3,(H,12,13)
• Isomeric SMILES: CC1=CC2=NC=C(N2C=C1)C(=O)O
• Alternate CAS: 21801-80-9
• PubChem CID: 21116451
• Molecular Weight: 176.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Methylpyridines Carbonylimidazoles N-substituted imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Imidazole-4-carbonyl group - Methylpyridine - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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