3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine

C16H17Cl2NO2 — CID 57393481

IUPAC3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO2/c1-3-14-16(6-4-11(2)19-14)21-9-8-20-15-7-5-12(17)10-13(15)18/h4-7,10H,3,8-9H2,1-2H3
InChIKeySLDGSMIYRXXOBI-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.72
Rot. Bonds6

About 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine

3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine (PubChem CID 57393481) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine
PubChem CID57393481
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO2/c1-3-14-16(6-4-11(2)19-14)21-9-8-20-15-7-5-12(17)10-13(15)18/h4-7,10H,3,8-9H2,1-2H3
InChIKeySLDGSMIYRXXOBI-UHFFFAOYSA-N
XLogP4.72
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.72
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 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine (CID 57393481) is 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine is CCc1nc(C)ccc1OCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine?
The InChIKey is SLDGSMIYRXXOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-3-14-16(6-4-11(2)19-14)21-9-8-20-15-7-5-12(17)10-13(15)18/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine?
3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine has a molecular weight of 326.22 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine is sourced from PubChem (CID 57393481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).