3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine

C26H16F5N — CID 163585581

IUPAC3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine
SMILESC=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2F)c(F)n1
InChIInChI=1S/C26H16F5N/c1-3-17-9-11-21(26(31)32-17)20-13-12-19(24(29)25(20)30)16-7-5-15(6-8-16)18-10-4-14(2)22(27)23(18)28/h3-13H,1H2,2H3
InChIKeyGLEWPLPCYYEUDP-UHFFFAOYSA-N
MW437.41 g/mol
LogP7.73
Rot. Bonds4

About 3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine

3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine (PubChem CID 163585581) has the molecular formula C26H16F5N and a molecular weight of 437.41 g/mol. Its IUPAC name is 3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine.

Molecular Properties

Compound Name3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine
PubChem CID163585581
Molecular FormulaC26H16F5N
Molecular Weight437.41 g/mol
Exact Mass437.12
IUPAC Name3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine
SMILESC=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2F)c(F)n1
InChIInChI=1S/C26H16F5N/c1-3-17-9-11-21(26(31)32-17)20-13-12-19(24(29)25(20)30)16-7-5-15(6-8-16)18-10-4-14(2)22(27)23(18)28/h3-13H,1H2,2H3
InChIKeyGLEWPLPCYYEUDP-UHFFFAOYSA-N
XLogP7.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.41
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine?
The IUPAC name of 3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine (CID 163585581) is 3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine.
What is the SMILES notation for 3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine?
The canonical SMILES for 3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine is C=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2F)c(F)n1.
What is the InChIKey of 3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine?
The InChIKey is GLEWPLPCYYEUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F5N/c1-3-17-9-11-21(26(31)32-17)20-13-12-19(24(29)25(20)30)16-7-5-15(6-8-16)18-10-4-14(2)22(27)23(18)28/h3-13H,1H2,2H3.
What are the key properties of 3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine?
3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine has a molecular weight of 437.41 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine is sourced from PubChem (CID 163585581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).