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

C15H14Cl3NO3 — CID 44620893

IUPAC2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine
SMILESCOCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
InChIInChI=1S/C15H14Cl3NO3/c1-20-9-11-3-5-14(15(18)19-11)22-7-6-21-13-4-2-10(16)8-12(13)17/h2-5,8H,6-7,9H2,1H3
InChIKeyWQIZRDJRZZYFGF-UHFFFAOYSA-N
MW362.64 g/mol
LogP4.65
Rot. Bonds7

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

2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine (PubChem CID 44620893) has the molecular formula C15H14Cl3NO3 and a molecular weight of 362.64 g/mol. Its IUPAC name is 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine
PubChem CID44620893
Molecular FormulaC15H14Cl3NO3
Molecular Weight362.64 g/mol
Exact Mass361.00
IUPAC Name2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine
SMILESCOCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
InChIInChI=1S/C15H14Cl3NO3/c1-20-9-11-3-5-14(15(18)19-11)22-7-6-21-13-4-2-10(16)8-12(13)17/h2-5,8H,6-7,9H2,1H3
InChIKeyWQIZRDJRZZYFGF-UHFFFAOYSA-N
XLogP4.65
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(methoxymethyl)pyridine?
The IUPAC name of 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine (CID 44620893) is 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine?
The canonical SMILES for 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine is COCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1.
What is the InChIKey of 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine?
The InChIKey is WQIZRDJRZZYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO3/c1-20-9-11-3-5-14(15(18)19-11)22-7-6-21-13-4-2-10(16)8-12(13)17/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine?
2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine has a molecular weight of 362.64 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine is sourced from PubChem (CID 44620893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).