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

C29H44FNO — CID 15702604

IUPAC5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine
SMILESCCCCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCC)cn2)cc1
InChIInChI=1S/C29H44FNO/c1-3-5-7-8-9-10-12-23-32-28-20-18-26(19-21-28)29-22-17-25(24-31-29)14-13-16-27(30)15-11-6-4-2/h17-22,24,27H,3-16,23H2,1-2H3
InChIKeyGWQBWGHUWDXXPM-UHFFFAOYSA-N
MW441.68 g/mol
LogP9.12
Rot. Bonds18

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

5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine (PubChem CID 15702604) has the molecular formula C29H44FNO and a molecular weight of 441.68 g/mol. Its IUPAC name is 5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine
PubChem CID15702604
Molecular FormulaC29H44FNO
Molecular Weight441.68 g/mol
Exact Mass441.34
IUPAC Name5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine
SMILESCCCCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCC)cn2)cc1
InChIInChI=1S/C29H44FNO/c1-3-5-7-8-9-10-12-23-32-28-20-18-26(19-21-28)29-22-17-25(24-31-29)14-13-16-27(30)15-11-6-4-2/h17-22,24,27H,3-16,23H2,1-2H3
InChIKeyGWQBWGHUWDXXPM-UHFFFAOYSA-N
XLogP9.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.68
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine
CID 15702606
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-fluorononyl)-2-(4-nonoxyphenyl)pyridine?
The IUPAC name of 5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine (CID 15702604) is 5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine.
What is the SMILES notation for 5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine?
The canonical SMILES for 5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine is CCCCCCCCCOc1ccc(-c2ccc(CCCC(F)CCCCC)cn2)cc1.
What is the InChIKey of 5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine?
The InChIKey is GWQBWGHUWDXXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44FNO/c1-3-5-7-8-9-10-12-23-32-28-20-18-26(19-21-28)29-22-17-25(24-31-29)14-13-16-27(30)15-11-6-4-2/h17-22,24,27H,3-16,23H2,1-2H3.
What are the key properties of 5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine?
5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine has a molecular weight of 441.68 g/mol, XLogP of 9.12, 18 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-nonoxyphenyl)pyridine is sourced from PubChem (CID 15702604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).