1-(6-Fluoro-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)-2,2-dimethylpropan-1-one , CAS No.1222533-74-5

CAS: 1222533-74-5 Cat. No.: F166571 Peso molecular: 236.29 PubChem CID: 49761598

Synonyms

1-Propanone, 1-(6-fluoro-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)-2,2-dimethyl- | MFCD16628235 | 1-(6-Fluoro-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)-2,2-dimethylpropan-1-one | XYB53374 | 1-(6-Fluoro-3,4-dihydro-1,8-naphthyridin-1(2H)-yl) -2,2-dimethylpropan-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Propanone, 1-(6-fluoro-3, 4-dihydro-1, 8-naphthyridin-1(2H)-yl)-2, 2-dimethyl- | MFCD16628235 | 1-(6-Fluoro-3, 4-dihydro-1, 8-naphthyridin-1(2H)-yl)-2, 2-dimethylpropan-1-one | XYB53374 | 1-(6-Fluoro-3, 4-dihydro-1, 8-naphthyridin-1(2H)-yl) -2, 2-dimethylpropan-

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)C(=O)N1CCCC2=C1N=CC(=C2)F
• IUPAC Name: 1-(6-fluoro-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2,2-dimethylpropan-1-one
• InChIKey: IUBSHJRDDRRQFV-UHFFFAOYSA-N
• INCHI: 1S/C13H17FN2O/c1-13(2,3)12(17)16-6-4-5-9-7-10(14)8-15-11(9)16/h7-8H,4-6H2,1-3H3
• Isómeros SMILES: CC(C)(C)C(=O)N1CCCC2=C1N=CC(=C2)F
• PubChem CID: 49761598
• Peso molecular: 236.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridines
• Alternative Parents: Pyridines and derivatives Imidolactams Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Aryl fluoride - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Azacycle - Carboxylic acid derivative - Amine - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
• 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: 236.280 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 236.132 Da
• Monoisotopic Mass: 236.132 Da
• Topological Polar Surface Area: 33.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300.000
• 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