Imidazo[1，2-a]pyridin-2(3H)-one hydrochloride - ≥95% , CAS No.52687-85-1

CAS: 52687-85-1 Cat. No.: I726664 Molecular Weight: 170.6 PubChem CID: 12299252

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1C(=O)N=C2N1C=CC=C2.Cl
• IUPAC Name: 3H-imidazo[1,2-a]pyridin-2-one;hydrochloride
• InChIKey: YLYILEUMTDOZTJ-UHFFFAOYSA-N
• INCHI: 1S/C7H6N2O.ClH/c10-7-5-9-4-2-1-3-6(9)8-7;/h1-4H,5H2;1H
• Isomeric SMILES: C1C(=O)N=C2N1C=CC=C2.Cl
• PubChem CID: 12299252
• Molecular Weight: 170.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines
      • Subclass Imidazopyridinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Imidazopyridinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridinones
• Alternative Parents: Alpha amino acids and derivatives Pyridinones Dihydropyridines Imidazolinones N-acylimines Propargyl-type 1,3-dipolar organic compounds Enamines Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Imidazopyridinone - Dihydropyridine - Pyridinone - Imidazolinone - 2-imidazoline - N-acylimine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Enamine - Azacycle - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic nitrogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridinones. These are compounds containing an imidazopyridine moiety where the pyridine ring bears a ketone group.
• 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: 170.590 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.025 Da
• Monoisotopic Mass: 170.025 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 263.000
• 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: 2

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