5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine

C14H14ClNO2 — CID 60604104

IUPAC5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine
SMILESCc1ccc(OCCOc2cccc(Cl)c2)cn1
InChIInChI=1S/C14H14ClNO2/c1-11-5-6-14(10-16-11)18-8-7-17-13-4-2-3-12(15)9-13/h2-6,9-10H,7-8H2,1H3
InChIKeyQBPXGAHUFAPLTJ-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.50
Rot. Bonds5

About 5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine

5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine (PubChem CID 60604104) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine.

Molecular Properties

Compound Name5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine
PubChem CID60604104
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine
SMILESCc1ccc(OCCOc2cccc(Cl)c2)cn1
InChIInChI=1S/C14H14ClNO2/c1-11-5-6-14(10-16-11)18-8-7-17-13-4-2-3-12(15)9-13/h2-6,9-10H,7-8H2,1H3
InChIKeyQBPXGAHUFAPLTJ-UHFFFAOYSA-N
XLogP3.50
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.50
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-(3-chlorophenoxy)ethoxy]-2-methylpyridine?
The IUPAC name of 5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine (CID 60604104) is 5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine.
What is the SMILES notation for 5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine?
The canonical SMILES for 5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine is Cc1ccc(OCCOc2cccc(Cl)c2)cn1.
What is the InChIKey of 5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine?
The InChIKey is QBPXGAHUFAPLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-11-5-6-14(10-16-11)18-8-7-17-13-4-2-3-12(15)9-13/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine?
5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine has a molecular weight of 263.72 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenoxy)ethoxy]-2-methylpyridine is sourced from PubChem (CID 60604104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).