5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine

C27H41NO2 — CID 22445574

IUPAC5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine
SMILESCCCCCCCCCc1ccc(-c2ccc(OCCCCCOCC)cn2)cc1
InChIInChI=1S/C27H41NO2/c1-3-5-6-7-8-9-11-14-24-15-17-25(18-16-24)27-20-19-26(23-28-27)30-22-13-10-12-21-29-4-2/h15-20,23H,3-14,21-22H2,1-2H3
InChIKeyVYXZTZILHRAFOJ-UHFFFAOYSA-N
MW411.63 g/mol
LogP7.63
Rot. Bonds17

About 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine

5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine (PubChem CID 22445574) has the molecular formula C27H41NO2 and a molecular weight of 411.63 g/mol. Its IUPAC name is 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine.

Molecular Properties

Compound Name5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine
PubChem CID22445574
Molecular FormulaC27H41NO2
Molecular Weight411.63 g/mol
Exact Mass411.31
IUPAC Name5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine
SMILESCCCCCCCCCc1ccc(-c2ccc(OCCCCCOCC)cn2)cc1
InChIInChI=1S/C27H41NO2/c1-3-5-6-7-8-9-11-14-24-15-17-25(18-16-24)27-20-19-26(23-28-27)30-22-13-10-12-21-29-4-2/h15-20,23H,3-14,21-22H2,1-2H3
InChIKeyVYXZTZILHRAFOJ-UHFFFAOYSA-N
XLogP7.63
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)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-octylphenyl)-5-(4-pentoxybutoxy)pyridine
CID 22445600
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
CID 22445595
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
CID 19807965
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
[4-(5-decoxy-2-pyridinyl)phenyl] 4-octylbenzoate
CID 139624169
[4-(5-hexoxy-2-pyridinyl)phenyl] 4-hexylbenzoate
CID 139624097
[4-(5-decoxy-2-pyridinyl)phenyl] 4-decylbenzoate
CID 139624208

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine?
The IUPAC name of 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine (CID 22445574) is 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine.
What is the SMILES notation for 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine?
The canonical SMILES for 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine is CCCCCCCCCc1ccc(-c2ccc(OCCCCCOCC)cn2)cc1.
What is the InChIKey of 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine?
The InChIKey is VYXZTZILHRAFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41NO2/c1-3-5-6-7-8-9-11-14-24-15-17-25(18-16-24)27-20-19-26(23-28-27)30-22-13-10-12-21-29-4-2/h15-20,23H,3-14,21-22H2,1-2H3.
What are the key properties of 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine?
5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine has a molecular weight of 411.63 g/mol, XLogP of 7.63, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine is sourced from PubChem (CID 22445574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).