Fluorofenidone - ≥98% , CAS No.848353-85-5

CAS: 848353-85-5 Cat. No.: F420062 Formule: C₁₂H₁₀FNO Poids moléculaire: 203.21

GRADE & PURITY ≥98%

Synonyms

1-(3-Fluorophenyl)-5-methylpyridin-2(1H)-one | BS-18175 | 1-(3-fluorophenyl)-5-methyl-2-(1h)-pyridone | 2(1H)-Pyridinone, 1-(3-fluorophenyl)-5-methyl- | EX-A3606 | 1-(3-fluorophenyl)-5-methylpyridin-2-one | HY-121246 | SCHEMBL1047536 | FLUOROFENIDONE | DT

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

1-(3-Fluorophenyl)-5-methylpyridin-2(1H)-one | BS-18175 | 1-(3-fluorophenyl)-5-methyl-2-(1h)-pyridone | 2(1H)-Pyridinone, 1-(3-fluorophenyl)-5-methyl- | EX-A3606 | 1-(3-fluorophenyl)-5-methylpyridin-2-one | HY-121246 | SCHEMBL1047536 | FLUOROFENIDONE | DT

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504766787

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766787

Sourires canoniques

CC1=CN(C(=O)C=C1)C2=CC(=CC=C2)F

IUPAC Name

1-(3-fluorophenyl)-5-methylpyridin-2-one

InChIKey

JDZYVVUJIQYGRX-UHFFFAOYSA-N

INCHI

1S/C12H10FNO/c1-9-5-6-12(15)14(8-9)11-4-2-3-10(13)7-11/h2-8H,1H3

Isomères SMILES

CC1=CN(C(=O)C=C1)C2=CC(=CC=C2)F

Poids moléculaire

203.21

Reaxy-Rn

11453178

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11453178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Methylpyridines Fluorobenzenes Dihydropyridines Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Dihydropyridine - Fluorobenzene - Halobenzene - Pyridinone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 203.210 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.075 Da
• Monoisotopic Mass: 203.075 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 322.000
• 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