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

C32H42FN — CID 19859811

IUPAC2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCC)cc3F)nc2)cc1
InChIInChI=1S/C32H42FN/c1-3-5-7-9-11-12-14-26-16-19-28(20-17-26)29-21-23-32(34-25-29)30-22-18-27(24-31(30)33)15-13-10-8-6-4-2/h16-25H,3-15H2,1-2H3
InChIKeyWJFCEVAOPDIRLR-UHFFFAOYSA-N
MW459.69 g/mol
LogP9.97
Rot. Bonds15

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

2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine (PubChem CID 19859811) has the molecular formula C32H42FN and a molecular weight of 459.69 g/mol. Its IUPAC name is 2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
PubChem CID19859811
Molecular FormulaC32H42FN
Molecular Weight459.69 g/mol
Exact Mass459.33
IUPAC Name2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCC)cc3F)nc2)cc1
InChIInChI=1S/C32H42FN/c1-3-5-7-9-11-12-14-26-16-19-28(20-17-26)29-21-23-32(34-25-29)30-22-18-27(24-31(30)33)15-13-10-8-6-4-2/h16-25H,3-15H2,1-2H3
InChIKeyWJFCEVAOPDIRLR-UHFFFAOYSA-N
XLogP9.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.69
LogP ≤ 59.97
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-octylphenyl)-5-(4-hexylphenyl)pyridine
CID 19859819
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-heptylphenyl)-5-(4-octylphenyl)pyridine?
The IUPAC name of 2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine (CID 19859811) is 2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine.
What is the SMILES notation for 2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine?
The canonical SMILES for 2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine is CCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCC)cc3F)nc2)cc1.
What is the InChIKey of 2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine?
The InChIKey is WJFCEVAOPDIRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FN/c1-3-5-7-9-11-12-14-26-16-19-28(20-17-26)29-21-23-32(34-25-29)30-22-18-27(24-31(30)33)15-13-10-8-6-4-2/h16-25H,3-15H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine?
2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine has a molecular weight of 459.69 g/mol, XLogP of 9.97, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine is sourced from PubChem (CID 19859811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).