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

C26H38FNO — CID 15702588

IUPAC5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine
SMILESCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCC)cn2)cc1
InChIInChI=1S/C26H38FNO/c1-3-5-7-9-20-29-25-17-15-23(16-18-25)26-19-14-22(21-28-26)11-10-13-24(27)12-8-6-4-2/h14-19,21,24H,3-13,20H2,1-2H3
InChIKeyCLHVYONHPQPMRH-UHFFFAOYSA-N
MW399.59 g/mol
LogP7.95
Rot. Bonds15

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

5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine (PubChem CID 15702588) has the molecular formula C26H38FNO and a molecular weight of 399.59 g/mol. Its IUPAC name is 5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine
PubChem CID15702588
Molecular FormulaC26H38FNO
Molecular Weight399.59 g/mol
Exact Mass399.29
IUPAC Name5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine
SMILESCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCC)cn2)cc1
InChIInChI=1S/C26H38FNO/c1-3-5-7-9-20-29-25-17-15-23(16-18-25)26-19-14-22(21-28-26)11-10-13-24(27)12-8-6-4-2/h14-19,21,24H,3-13,20H2,1-2H3
InChIKeyCLHVYONHPQPMRH-UHFFFAOYSA-N
XLogP7.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.59
LogP ≤ 57.95
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-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-fluorononyl)-2-(4-hexoxyphenyl)pyridine?
The IUPAC name of 5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine (CID 15702588) is 5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine.
What is the SMILES notation for 5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine?
The canonical SMILES for 5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine is CCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCC)cn2)cc1.
What is the InChIKey of 5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine?
The InChIKey is CLHVYONHPQPMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FNO/c1-3-5-7-9-20-29-25-17-15-23(16-18-25)26-19-14-22(21-28-26)11-10-13-24(27)12-8-6-4-2/h14-19,21,24H,3-13,20H2,1-2H3.
What are the key properties of 5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine?
5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine has a molecular weight of 399.59 g/mol, XLogP of 7.95, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine is sourced from PubChem (CID 15702588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).