2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine

C31H40FN — CID 19859819

IUPAC2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCC)cc3)cn2)c(F)c1
InChIInChI=1S/C31H40FN/c1-3-5-7-9-10-12-14-26-17-21-29(30(32)23-26)31-22-20-28(24-33-31)27-18-15-25(16-19-27)13-11-8-6-4-2/h15-24H,3-14H2,1-2H3
InChIKeyOAJOHYBXFCWTOE-UHFFFAOYSA-N
MW445.67 g/mol
LogP9.58
Rot. Bonds14

About 2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine

2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine (PubChem CID 19859819) has the molecular formula C31H40FN and a molecular weight of 445.67 g/mol. Its IUPAC name is 2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine
PubChem CID19859819
Molecular FormulaC31H40FN
Molecular Weight445.67 g/mol
Exact Mass445.31
IUPAC Name2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCC)cc3)cn2)c(F)c1
InChIInChI=1S/C31H40FN/c1-3-5-7-9-10-12-14-26-17-21-29(30(32)23-26)31-22-20-28(24-33-31)27-18-15-25(16-19-27)13-11-8-6-4-2/h15-24H,3-14H2,1-2H3
InChIKeyOAJOHYBXFCWTOE-UHFFFAOYSA-N
XLogP9.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.67
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
CID 19859811
2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine
CID 19858622
2-(2-fluoro-4-octylphenyl)-5-(4-octoxyphenyl)pyridine
CID 19859795
2-(2-fluoro-4-hexylphenyl)-5-(4-nonoxyphenyl)pyridine
CID 19859636
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-heptylpyridine
CID 19859113
2,5-bis(4-octylphenyl)pyridine
CID 139839621
2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine
CID 19765344
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
CID 19859704
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
CID 139691046
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine
CID 19765754

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine?
The IUPAC name of 2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine (CID 19859819) is 2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine.
What is the SMILES notation for 2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine?
The canonical SMILES for 2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine is CCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCC)cc3)cn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine?
The InChIKey is OAJOHYBXFCWTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40FN/c1-3-5-7-9-10-12-14-26-17-21-29(30(32)23-26)31-22-20-28(24-33-31)27-18-15-25(16-19-27)13-11-8-6-4-2/h15-24H,3-14H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine?
2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine has a molecular weight of 445.67 g/mol, XLogP of 9.58, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine is sourced from PubChem (CID 19859819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).