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

C31H48FNO — CID 15702606

IUPAC5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine
SMILESCCCCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCCCC)cn2)cc1
InChIInChI=1S/C31H48FNO/c1-3-5-7-9-10-12-14-25-34-30-22-20-28(21-23-30)31-24-19-27(26-33-31)16-15-18-29(32)17-13-11-8-6-4-2/h19-24,26,29H,3-18,25H2,1-2H3
InChIKeyCGQUQGZTGUFALK-UHFFFAOYSA-N
MW469.73 g/mol
LogP9.90
Rot. Bonds20

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

5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine (PubChem CID 15702606) has the molecular formula C31H48FNO and a molecular weight of 469.73 g/mol. Its IUPAC name is 5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine
PubChem CID15702606
Molecular FormulaC31H48FNO
Molecular Weight469.73 g/mol
Exact Mass469.37
IUPAC Name5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine
SMILESCCCCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCCCC)cn2)cc1
InChIInChI=1S/C31H48FNO/c1-3-5-7-9-10-12-14-25-34-30-22-20-28(21-23-30)31-24-19-27(26-33-31)16-15-18-29(32)17-13-11-8-6-4-2/h19-24,26,29H,3-18,25H2,1-2H3
InChIKeyCGQUQGZTGUFALK-UHFFFAOYSA-N
XLogP9.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.73
LogP ≤ 59.90
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-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-fluorodecyl)-2-(4-hexoxyphenyl)pyridine
CID 15702589
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-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine?
The IUPAC name of 5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine (CID 15702606) is 5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine.
What is the SMILES notation for 5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine?
The canonical SMILES for 5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine is CCCCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCCCC)cn2)cc1.
What is the InChIKey of 5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine?
The InChIKey is CGQUQGZTGUFALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48FNO/c1-3-5-7-9-10-12-14-25-34-30-22-20-28(21-23-30)31-24-19-27(26-33-31)16-15-18-29(32)17-13-11-8-6-4-2/h19-24,26,29H,3-18,25H2,1-2H3.
What are the key properties of 5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine?
5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine has a molecular weight of 469.73 g/mol, XLogP of 9.90, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine is sourced from PubChem (CID 15702606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).