2-(2,3,4-Trifluorophenyl)pyridine - ≥97% , CAS No.1431374-74-1

CAS: 1431374-74-1 Cat. No.: T405101 Molecular Weight: 209.17 PubChem CID: 20807255

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199829
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199829
• Canonical Smiles: C1=CC=NC(=C1)C2=C(C(=C(C=C2)F)F)F
• IUPAC Name: 2-(2,3,4-trifluorophenyl)pyridine
• InChIKey: RKGNWPYWRICEMN-UHFFFAOYSA-N
• INCHI: 1S/C11H6F3N/c12-8-5-4-7(10(13)11(8)14)9-3-1-2-6-15-9/h1-6H
• Isomeric SMILES: C1=CC=NC(=C1)C2=C(C(=C(C=C2)F)F)F
• PubChem CID: 20807255
• Molecular Weight: 209.17
• Reaxy-Rn: 23009698

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

• Melt Point(°C): 58 °C
• Molecular Weight: 209.170 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 209.045 Da
• Monoisotopic Mass: 209.045 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 212.000
• 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