2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine

C13H9Br2Cl2NO2 — CID 44620892

IUPAC2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine
SMILESClc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
InChIInChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
InChIKeyKMGUBUXDNOMSRM-UHFFFAOYSA-N
MW441.93 g/mol
LogP5.37
Rot. Bonds5

About 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine

2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine (PubChem CID 44620892) has the molecular formula C13H9Br2Cl2NO2 and a molecular weight of 441.93 g/mol. Its IUPAC name is 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine.

Molecular Properties

Compound Name2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine
PubChem CID44620892
Molecular FormulaC13H9Br2Cl2NO2
Molecular Weight441.93 g/mol
Exact Mass438.84
IUPAC Name2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine
SMILESClc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
InChIInChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
InChIKeyKMGUBUXDNOMSRM-UHFFFAOYSA-N
XLogP5.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.93
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine?
The IUPAC name of 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine (CID 44620892) is 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine.
What is the SMILES notation for 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine?
The canonical SMILES for 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine is Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1.
What is the InChIKey of 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine?
The InChIKey is KMGUBUXDNOMSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2.
What are the key properties of 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine?
2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine has a molecular weight of 441.93 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine is sourced from PubChem (CID 44620892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).