2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine

C31H46FNO2 — CID 19821346

IUPAC2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(C3OCC(CCCCCCCC)CO3)cn2)cc1F
InChIInChI=1S/C31H46FNO2/c1-3-5-7-9-11-13-15-25-23-34-31(35-24-25)28-19-20-30(33-22-28)27-18-17-26(29(32)21-27)16-14-12-10-8-6-4-2/h17-22,25,31H,3-16,23-24H2,1-2H3
InChIKeyZVPBQYSPUXQPHT-UHFFFAOYSA-N
MW483.71 g/mol
LogP9.20
Rot. Bonds16

About 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine

2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine (PubChem CID 19821346) has the molecular formula C31H46FNO2 and a molecular weight of 483.71 g/mol. Its IUPAC name is 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine
PubChem CID19821346
Molecular FormulaC31H46FNO2
Molecular Weight483.71 g/mol
Exact Mass483.35
IUPAC Name2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(C3OCC(CCCCCCCC)CO3)cn2)cc1F
InChIInChI=1S/C31H46FNO2/c1-3-5-7-9-11-13-15-25-23-34-31(35-24-25)28-19-20-30(33-22-28)27-18-17-26(29(32)21-27)16-14-12-10-8-6-4-2/h17-22,25,31H,3-16,23-24H2,1-2H3
InChIKeyZVPBQYSPUXQPHT-UHFFFAOYSA-N
XLogP9.20
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.71
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)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

2-(4-decyl-3-fluorophenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine
CID 19821390
5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine
CID 19812592
2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine
CID 19821295
5-(5-decyl-1,3-dioxan-2-yl)-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 19821255
2-(3-fluoro-4-pentylphenyl)-5-(4-hexylcyclohexyl)pyrimidine
CID 21270888
2-(4-decoxyphenyl)-5-(5-undec-10-enyl-1,3-dioxan-2-yl)pyridine
CID 19821380
5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine
CID 139662086
5-[2-(5-dodecyl-1,3-dioxan-2-yl)ethyl]-2-(3-fluoro-4-octoxyphenyl)pyridine
CID 19821332
5-(4-butylcyclohexyl)-2-(3-fluoro-4-hexylphenyl)pyrimidine
CID 21270920
2-[4-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2-fluorophenyl]-5-pentyl-1,3-dioxane
CID 67734831
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-heptylpyridazine
CID 139778666
2-[4-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]phenyl]-5-pentyl-1,3-dioxane
CID 118459119

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine?
The IUPAC name of 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine (CID 19821346) is 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine.
What is the SMILES notation for 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine?
The canonical SMILES for 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine is CCCCCCCCc1ccc(-c2ccc(C3OCC(CCCCCCCC)CO3)cn2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine?
The InChIKey is ZVPBQYSPUXQPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46FNO2/c1-3-5-7-9-11-13-15-25-23-34-31(35-24-25)28-19-20-30(33-22-28)27-18-17-26(29(32)21-27)16-14-12-10-8-6-4-2/h17-22,25,31H,3-16,23-24H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine?
2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine has a molecular weight of 483.71 g/mol, XLogP of 9.20, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine is sourced from PubChem (CID 19821346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).