Ctk2F9789 - ≥97% , CAS No.785784-11-4

CAS: 785784-11-4 Cat. No.: C1303460 Fórmula: C₁₄H₁₁F₃N₂ Peso molecular: 264.25 PubChem CID: 11219263

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: C1C(N=C2N1C=C(C=C2)C(F)(F)F)C3=CC=CC=C3
• IUPAC Name: (2R)-2-phenyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine
• InChIKey: HSRBEDJTOVKYFL-LBPRGKRZSA-N
• INCHI: 1S/C14H11F3N2/c15-14(16,17)11-6-7-13-18-12(9-19(13)8-11)10-4-2-1-3-5-10/h1-8,12H,9H2/t12-/m0/s1
• SMILES isoméricas: C1[C@H](N=C2N1C=C(C=C2)C(F)(F)F)C3=CC=CC=C3
• PubChem CID: 11219263
• Peso molecular: 264.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Dihydropyridines Imidolactams Benzene and substituted derivatives Imidazolines Propargyl-type 1,3-dipolar organic compounds Enamines Carboximidamides Carboxamidines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Dihydropyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - 2-imidazoline - Amidine - Carboxylic acid amidine - Enamine - Azacycle - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Alkyl fluoride - Hydrocarbon derivative - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Propriedades químicas e físicas

• Peso molecular: 264.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 264.087 Da
• Monoisotopic Mass: 264.087 Da
• Topological Polar Surface Area: 15.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 442.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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