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

C24H34FNO2 — CID 139772028

IUPAC5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine
SMILESCCCCCCCOc1ccc(-c2ccc(OCC(F)CC(C)C)cn2)cc1
InChIInChI=1S/C24H34FNO2/c1-4-5-6-7-8-15-27-22-11-9-20(10-12-22)24-14-13-23(17-26-24)28-18-21(25)16-19(2)3/h9-14,17,19,21H,4-8,15-16,18H2,1-3H3
InChIKeyZGEBPQUIMLEJLX-UHFFFAOYSA-N
MW387.54 g/mol
LogP6.86
Rot. Bonds13

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

5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine (PubChem CID 139772028) has the molecular formula C24H34FNO2 and a molecular weight of 387.54 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine
PubChem CID139772028
Molecular FormulaC24H34FNO2
Molecular Weight387.54 g/mol
Exact Mass387.26
IUPAC Name5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine
SMILESCCCCCCCOc1ccc(-c2ccc(OCC(F)CC(C)C)cn2)cc1
InChIInChI=1S/C24H34FNO2/c1-4-5-6-7-8-15-27-22-11-9-20(10-12-22)24-14-13-23(17-26-24)28-18-21(25)16-19(2)3/h9-14,17,19,21H,4-8,15-16,18H2,1-3H3
InChIKeyZGEBPQUIMLEJLX-UHFFFAOYSA-N
XLogP6.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.54
LogP ≤ 56.86
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-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine
CID 139772111
5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine
CID 139772024
2-[4-(2-fluoro-4-methylpentoxy)phenyl]-5-(4-heptoxyphenyl)pyrimidine
CID 54563076
2-[4-(2-fluoro-4-methylpentoxy)phenyl]-5-(4-octoxyphenyl)pyrimidine
CID 54220564
2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine
CID 23181046
5-(4-butoxyphenyl)-2-[4-(2-fluoro-4-methylpentoxy)phenyl]pyrimidine
CID 54271769
5-butoxy-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 23180662
2-(4-butylphenyl)-5-(2-fluorononoxy)pyridine
CID 139772017
2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
CID 139772067
5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine
CID 139772078

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine?
The IUPAC name of 5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine (CID 139772028) is 5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine.
What is the SMILES notation for 5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine?
The canonical SMILES for 5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine is CCCCCCCOc1ccc(-c2ccc(OCC(F)CC(C)C)cn2)cc1.
What is the InChIKey of 5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine?
The InChIKey is ZGEBPQUIMLEJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO2/c1-4-5-6-7-8-15-27-22-11-9-20(10-12-22)24-14-13-23(17-26-24)28-18-21(25)16-19(2)3/h9-14,17,19,21H,4-8,15-16,18H2,1-3H3.
What are the key properties of 5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine?
5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine has a molecular weight of 387.54 g/mol, XLogP of 6.86, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine is sourced from PubChem (CID 139772028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).