Cas no 583052-20-4 (Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-)

Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl- structure
583052-20-4 structure
Product Name:Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-
CAS No:583052-20-4
MF:C14H9F6N
MW:305.218384504318
CID:342535
PubChem ID:12176320
Update Time:2025-04-19

Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-
    • 2-[3,5-bis(trifluoromethyl)phenyl]-4-methylpyridine
    • QTHYYZWLKATFHB-UHFFFAOYSA-N
    • DTXSID30479285
    • SCHEMBL1092259
    • 583052-20-4
    • Inchi: 1S/C14H9F6N/c1-8-2-3-21-12(4-8)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20/h2-7H,1H3
    • InChI Key: QTHYYZWLKATFHB-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C(F)(F)F)C=C(C2C=C(C)C=CN=2)C=1)(F)F

Computed Properties

  • Exact Mass: 305.06397
  • Monoisotopic Mass: 305.06391826g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 328
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89
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