5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine

C14H13Cl2NO2 — CID 57393478

IUPAC5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C14H13Cl2NO2/c1-10-2-4-12(9-17-10)18-6-7-19-14-5-3-11(15)8-13(14)16/h2-5,8-9H,6-7H2,1H3
InChIKeyFBFODTHOOTUVMP-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.15
Rot. Bonds5

About 5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine

5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine (PubChem CID 57393478) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine.

Molecular Properties

Compound Name5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine
PubChem CID57393478
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C14H13Cl2NO2/c1-10-2-4-12(9-17-10)18-6-7-19-14-5-3-11(15)8-13(14)16/h2-5,8-9H,6-7H2,1H3
InChIKeyFBFODTHOOTUVMP-UHFFFAOYSA-N
XLogP4.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.15
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 5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine?
The IUPAC name of 5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine (CID 57393478) is 5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine.
What is the SMILES notation for 5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine?
The canonical SMILES for 5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine is Cc1ccc(OCCOc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine?
The InChIKey is FBFODTHOOTUVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-10-2-4-12(9-17-10)18-6-7-19-14-5-3-11(15)8-13(14)16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine?
5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine has a molecular weight of 298.17 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dichlorophenoxy)ethoxy]-2-methylpyridine is sourced from PubChem (CID 57393478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).