Ethyl 6-fluoro-4-hydroxyquinoline-2-carboxylate - ≥95% , CAS No.16377-62-1

CAS: 16377-62-1 Cat. No.: E330608 Peso molecular: 235.2

GRADE & PURITY ≥95%

Synonyms

AKOS015853414 | DEPYDFBYFAIPPA-UHFFFAOYSA-N | MFCD11504932 | SB68812 | Ethyl6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate | DTXSID30625644 | F3382-6677 | CCG-127091 | BS-21643 | A882545 | Ethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate | HMS34

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015853414 | DEPYDFBYFAIPPA-UHFFFAOYSA-N | MFCD11504932 | SB68812 | Ethyl6-fluoro-4-oxo-1, 4-dihydroquinoline-2-carboxylate | DTXSID30625644 | F3382-6677 | CCG-127091 | BS-21643 | A882545 | Ethyl 6-fluoro-4-oxo-1, 4-dihydroquinoline-2-carboxylate | HMS34

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488200145
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200145
• Sonrisas canónicas: CCOC(=O)C1=CC(=O)C2=C(N1)C=CC(=C2)F
• IUPAC Name: ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
• InChIKey: DEPYDFBYFAIPPA-UHFFFAOYSA-N
• INCHI: 1S/C12H10FNO3/c1-2-17-12(16)10-6-11(15)8-5-7(13)3-4-9(8)14-10/h3-6H,2H2,1H3,(H,14,15)
• Isómeros SMILES: CCOC(=O)C1=CC(=O)C2=C(N1)C=CC(=C2)F
• Peso molecular: 235.2
• Reaxy-Rn: 407932
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=407932&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluoroquinolones
• Alternative Parents: Hydroquinolones Haloquinolines Hydroquinolines Pyridinecarboxylic acids Benzenoids Aryl fluorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluoroquinolone - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluoroquinolones. These are compounds containing a fluorine atom attached to a quinolone. Quinolone or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine, and 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 235.210 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 235.064 Da
• Monoisotopic Mass: 235.064 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 367.000
• 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