5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine

C28H42FNO2 — CID 139772041

IUPAC5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
SMILESCCCCCCCCCOc1ccc(-c2ccc(OCC(F)CCCCCC)cn2)cc1
InChIInChI=1S/C28H42FNO2/c1-3-5-7-9-10-11-13-21-31-26-17-15-24(16-18-26)28-20-19-27(22-30-28)32-23-25(29)14-12-8-6-4-2/h15-20,22,25H,3-14,21,23H2,1-2H3
InChIKeyCWXLEBKJMRYOIH-UHFFFAOYSA-N
MW443.65 g/mol
LogP8.57
Rot. Bonds18

About 5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine

5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine (PubChem CID 139772041) has the molecular formula C28H42FNO2 and a molecular weight of 443.65 g/mol. Its IUPAC name is 5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
PubChem CID139772041
Molecular FormulaC28H42FNO2
Molecular Weight443.65 g/mol
Exact Mass443.32
IUPAC Name5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
SMILESCCCCCCCCCOc1ccc(-c2ccc(OCC(F)CCCCCC)cn2)cc1
InChIInChI=1S/C28H42FNO2/c1-3-5-7-9-10-11-13-21-31-26-17-15-24(16-18-26)28-20-19-27(22-30-28)32-23-25(29)14-12-8-6-4-2/h15-20,22,25H,3-14,21,23H2,1-2H3
InChIKeyCWXLEBKJMRYOIH-UHFFFAOYSA-N
XLogP8.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.65
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine
CID 139772028
1-[(2S)-2-fluorooctoxy]-4-(4-octoxyphenyl)benzene
CID 22844425
2-(4-butylphenyl)-5-(2-fluorononoxy)pyridine
CID 139772017
2-(4-decylphenyl)-5-(2-fluoroheptoxy)pyridine
CID 139772002
2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
CID 139772067
5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine
CID 139772024
2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine
CID 139772111
5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine
CID 139772078
5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine
CID 139772010
6-[4-[(2S)-2-fluorooctoxy]phenyl]pyridine-3-carbaldehyde
CID 54249952
6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde
CID 19821242

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine?
The IUPAC name of 5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine (CID 139772041) is 5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine.
What is the SMILES notation for 5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine?
The canonical SMILES for 5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine is CCCCCCCCCOc1ccc(-c2ccc(OCC(F)CCCCCC)cn2)cc1.
What is the InChIKey of 5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine?
The InChIKey is CWXLEBKJMRYOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42FNO2/c1-3-5-7-9-10-11-13-21-31-26-17-15-24(16-18-26)28-20-19-27(22-30-28)32-23-25(29)14-12-8-6-4-2/h15-20,22,25H,3-14,21,23H2,1-2H3.
What are the key properties of 5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine?
5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine has a molecular weight of 443.65 g/mol, XLogP of 8.57, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine is sourced from PubChem (CID 139772041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).