1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one

C13H11Cl2NO2 — CID 898655

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO2/c14-10-4-5-12(11(15)9-10)18-8-7-16-6-2-1-3-13(16)17/h1-6,9H,7-8H2
InChIKeyHBQWXVBBLRGPCD-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.23
Rot. Bonds4

About 1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one

1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one (PubChem CID 898655) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one
PubChem CID898655
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO2/c14-10-4-5-12(11(15)9-10)18-8-7-16-6-2-1-3-13(16)17/h1-6,9H,7-8H2
InChIKeyHBQWXVBBLRGPCD-UHFFFAOYSA-N
XLogP3.23
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one (CID 898655) is 1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one is O=c1ccccn1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one?
The InChIKey is HBQWXVBBLRGPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c14-10-4-5-12(11(15)9-10)18-8-7-16-6-2-1-3-13(16)17/h1-6,9H,7-8H2.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one?
1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one has a molecular weight of 284.14 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 898655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).