2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine

C15H12Cl3NO2 — CID 57400467

IUPAC2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine
SMILESC=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
InChIInChI=1S/C15H12Cl3NO2/c1-2-11-4-6-14(15(18)19-11)21-8-7-20-13-5-3-10(16)9-12(13)17/h2-6,9H,1,7-8H2
InChIKeyLNMIMKUXSGGSCZ-UHFFFAOYSA-N
MW344.63 g/mol
LogP5.14
Rot. Bonds6

About 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine

2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine (PubChem CID 57400467) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine.

Molecular Properties

Compound Name2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine
PubChem CID57400467
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine
SMILESC=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
InChIInChI=1S/C15H12Cl3NO2/c1-2-11-4-6-14(15(18)19-11)21-8-7-20-13-5-3-10(16)9-12(13)17/h2-6,9H,1,7-8H2
InChIKeyLNMIMKUXSGGSCZ-UHFFFAOYSA-N
XLogP5.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 55.14
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-ethenylpyridine?
The IUPAC name of 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine (CID 57400467) is 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine.
What is the SMILES notation for 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine?
The canonical SMILES for 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine is C=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1.
What is the InChIKey of 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine?
The InChIKey is LNMIMKUXSGGSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c1-2-11-4-6-14(15(18)19-11)21-8-7-20-13-5-3-10(16)9-12(13)17/h2-6,9H,1,7-8H2.
What are the key properties of 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine?
2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine has a molecular weight of 344.63 g/mol, XLogP of 5.14, 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-ethenylpyridine is sourced from PubChem (CID 57400467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).