5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine

C27H40FNO — CID 15702589

IUPAC5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine
SMILESCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCCC)cn2)cc1
InChIInChI=1S/C27H40FNO/c1-3-5-7-9-13-25(28)14-11-12-23-15-20-27(29-22-23)24-16-18-26(19-17-24)30-21-10-8-6-4-2/h15-20,22,25H,3-14,21H2,1-2H3
InChIKeyIFMNSJQZVVHBFU-UHFFFAOYSA-N
MW413.62 g/mol
LogP8.34
Rot. Bonds16

About 5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine

5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine (PubChem CID 15702589) has the molecular formula C27H40FNO and a molecular weight of 413.62 g/mol. Its IUPAC name is 5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine
PubChem CID15702589
Molecular FormulaC27H40FNO
Molecular Weight413.62 g/mol
Exact Mass413.31
IUPAC Name5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine
SMILESCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCCC)cn2)cc1
InChIInChI=1S/C27H40FNO/c1-3-5-7-9-13-25(28)14-11-12-23-15-20-27(29-22-23)24-16-18-26(19-17-24)30-21-10-8-6-4-2/h15-20,22,25H,3-14,21H2,1-2H3
InChIKeyIFMNSJQZVVHBFU-UHFFFAOYSA-N
XLogP8.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.62
LogP ≤ 58.34
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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Related Compounds

5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine
CID 15702606
5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine
CID 15702604
5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine
CID 15702597
5-(4-fluorodecyl)-2-(4-nonoxyphenyl)pyridine
CID 15702605
5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine
CID 15702588
5-(4-fluoroundecyl)-2-(4-hexoxyphenyl)pyridine
CID 15702590
5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine
CID 15702599
5-(4-fluorooctyl)-2-(4-nonoxyphenyl)pyridine
CID 15702603
5-(3-fluorodecyl)-2-(4-nonoxyphenyl)pyridine
CID 54366455
5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine
CID 15702592
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine?
The IUPAC name of 5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine (CID 15702589) is 5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine.
What is the SMILES notation for 5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine?
The canonical SMILES for 5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine is CCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCCC)cn2)cc1.
What is the InChIKey of 5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine?
The InChIKey is IFMNSJQZVVHBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40FNO/c1-3-5-7-9-13-25(28)14-11-12-23-15-20-27(29-22-23)24-16-18-26(19-17-24)30-21-10-8-6-4-2/h15-20,22,25H,3-14,21H2,1-2H3.
What are the key properties of 5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine?
5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine has a molecular weight of 413.62 g/mol, XLogP of 8.34, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine is sourced from PubChem (CID 15702589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).