2,6-bis[3-(4-chlorophenoxy)propyl]pyridine

C23H23Cl2NO2 — CID 71606718

IUPAC2,6-bis[3-(4-chlorophenoxy)propyl]pyridine
SMILESClc1ccc(OCCCc2cccc(CCCOc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H23Cl2NO2/c24-18-8-12-22(13-9-18)27-16-2-6-20-4-1-5-21(26-20)7-3-17-28-23-14-10-19(25)11-15-23/h1,4-5,8-15H,2-3,6-7,16-17H2
InChIKeyQPMAINVCDSPOOY-UHFFFAOYSA-N
MW416.35 g/mol
LogP6.41
Rot. Bonds10

About 2,6-bis[3-(4-chlorophenoxy)propyl]pyridine

2,6-bis[3-(4-chlorophenoxy)propyl]pyridine (PubChem CID 71606718) has the molecular formula C23H23Cl2NO2 and a molecular weight of 416.35 g/mol. Its IUPAC name is 2,6-bis[3-(4-chlorophenoxy)propyl]pyridine.

Molecular Properties

Compound Name2,6-bis[3-(4-chlorophenoxy)propyl]pyridine
PubChem CID71606718
Molecular FormulaC23H23Cl2NO2
Molecular Weight416.35 g/mol
Exact Mass415.11
IUPAC Name2,6-bis[3-(4-chlorophenoxy)propyl]pyridine
SMILESClc1ccc(OCCCc2cccc(CCCOc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H23Cl2NO2/c24-18-8-12-22(13-9-18)27-16-2-6-20-4-1-5-21(26-20)7-3-17-28-23-14-10-19(25)11-15-23/h1,4-5,8-15H,2-3,6-7,16-17H2
InChIKeyQPMAINVCDSPOOY-UHFFFAOYSA-N
XLogP6.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.35
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(4-chlorophenoxy)propyl]pyridine?
The IUPAC name of 2,6-bis[3-(4-chlorophenoxy)propyl]pyridine (CID 71606718) is 2,6-bis[3-(4-chlorophenoxy)propyl]pyridine.
What is the SMILES notation for 2,6-bis[3-(4-chlorophenoxy)propyl]pyridine?
The canonical SMILES for 2,6-bis[3-(4-chlorophenoxy)propyl]pyridine is Clc1ccc(OCCCc2cccc(CCCOc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2,6-bis[3-(4-chlorophenoxy)propyl]pyridine?
The InChIKey is QPMAINVCDSPOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO2/c24-18-8-12-22(13-9-18)27-16-2-6-20-4-1-5-21(26-20)7-3-17-28-23-14-10-19(25)11-15-23/h1,4-5,8-15H,2-3,6-7,16-17H2.
What are the key properties of 2,6-bis[3-(4-chlorophenoxy)propyl]pyridine?
2,6-bis[3-(4-chlorophenoxy)propyl]pyridine has a molecular weight of 416.35 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(4-chlorophenoxy)propyl]pyridine is sourced from PubChem (CID 71606718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).