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

C32H42FNO — CID 19858847

IUPAC2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(OCCCCCCC)cc3)cn2)c(F)c1
InChIInChI=1S/C32H42FNO/c1-3-5-7-9-10-12-14-26-15-21-30(31(33)24-26)32-22-18-28(25-34-32)27-16-19-29(20-17-27)35-23-13-11-8-6-4-2/h15-22,24-25H,3-14,23H2,1-2H3
InChIKeyFIOSJMMTZBRGJI-UHFFFAOYSA-N
MW475.69 g/mol
LogP9.81
Rot. Bonds16

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

2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine (PubChem CID 19858847) has the molecular formula C32H42FNO and a molecular weight of 475.69 g/mol. Its IUPAC name is 2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine
PubChem CID19858847
Molecular FormulaC32H42FNO
Molecular Weight475.69 g/mol
Exact Mass475.33
IUPAC Name2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(OCCCCCCC)cc3)cn2)c(F)c1
InChIInChI=1S/C32H42FNO/c1-3-5-7-9-10-12-14-26-15-21-30(31(33)24-26)32-22-18-28(25-34-32)27-16-19-29(20-17-27)35-23-13-11-8-6-4-2/h15-22,24-25H,3-14,23H2,1-2H3
InChIKeyFIOSJMMTZBRGJI-UHFFFAOYSA-N
XLogP9.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.69
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine?
The IUPAC name of 2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine (CID 19858847) is 2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine.
What is the SMILES notation for 2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine?
The canonical SMILES for 2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine is CCCCCCCCc1ccc(-c2ccc(-c3ccc(OCCCCCCC)cc3)cn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine?
The InChIKey is FIOSJMMTZBRGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FNO/c1-3-5-7-9-10-12-14-26-15-21-30(31(33)24-26)32-22-18-28(25-34-32)27-16-19-29(20-17-27)35-23-13-11-8-6-4-2/h15-22,24-25H,3-14,23H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine?
2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine has a molecular weight of 475.69 g/mol, XLogP of 9.81, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-octylphenyl)-5-(4-heptoxyphenyl)pyridine is sourced from PubChem (CID 19858847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).