2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine

C17H16Cl3NO2 — CID 57391815

IUPAC2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine
SMILESCC(C)=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
InChIInChI=1S/C17H16Cl3NO2/c1-11(2)9-13-4-6-16(17(20)21-13)23-8-7-22-15-5-3-12(18)10-14(15)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHNQWWJBYDDPOKI-UHFFFAOYSA-N
MW372.68 g/mol
LogP5.92
Rot. Bonds6

About 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine

2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine (PubChem CID 57391815) has the molecular formula C17H16Cl3NO2 and a molecular weight of 372.68 g/mol. Its IUPAC name is 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine
PubChem CID57391815
Molecular FormulaC17H16Cl3NO2
Molecular Weight372.68 g/mol
Exact Mass371.02
IUPAC Name2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine
SMILESCC(C)=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
InChIInChI=1S/C17H16Cl3NO2/c1-11(2)9-13-4-6-16(17(20)21-13)23-8-7-22-15-5-3-12(18)10-14(15)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHNQWWJBYDDPOKI-UHFFFAOYSA-N
XLogP5.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 55.92
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-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine?
The IUPAC name of 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine (CID 57391815) is 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine.
What is the SMILES notation for 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine?
The canonical SMILES for 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine is CC(C)=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1.
What is the InChIKey of 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine?
The InChIKey is HNQWWJBYDDPOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO2/c1-11(2)9-13-4-6-16(17(20)21-13)23-8-7-22-15-5-3-12(18)10-14(15)19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine?
2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine has a molecular weight of 372.68 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine is sourced from PubChem (CID 57391815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).