4，6-Dichloro-1H-imidazo[4，5-c]pyridin-2(3H)-one - ≥95% , CAS No.668268-68-6

CAS: 668268-68-6 Cat. No.: D726020 Molecular Weight: 204.01 PubChem CID: 11469765

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=C2C(=C(N=C1Cl)Cl)NC(=O)N2
• IUPAC Name: 4,6-dichloro-1,3-dihydroimidazo[4,5-c]pyridin-2-one
• InChIKey: GOBSCYOMGGGJOG-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2N3O/c7-3-1-2-4(5(8)10-3)11-6(12)9-2/h1H,(H2,9,11,12)
• Isomeric SMILES: C1=C2C(=C(N=C1Cl)Cl)NC(=O)N2
• PubChem CID: 11469765
• Molecular Weight: 204.01

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: Imidazo-[4,5-c]pyridines Polyhalopyridines Pyridinones 2-halopyridines Aryl chlorides Imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridinone - Imidazo-[4,5-c]pyridine - Polyhalopyridine - Pyridinone - 2-halopyridine - Aryl halide - Aryl chloride - Pyridine - Heteroaromatic compound - Azole - Imidazole - Urea - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic 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: 204.010 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 202.965 Da
• Monoisotopic Mass: 202.965 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 213.000
• 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