1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one

C13H12ClNO2 — CID 896687

IUPAC1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccccc1Cl
InChIInChI=1S/C13H12ClNO2/c14-11-5-1-2-6-12(11)17-10-9-15-8-4-3-7-13(15)16/h1-8H,9-10H2
InChIKeyRTPOVGOQHQTNAD-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one

1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one (PubChem CID 896687) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one
PubChem CID896687
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccccc1Cl
InChIInChI=1S/C13H12ClNO2/c14-11-5-1-2-6-12(11)17-10-9-15-8-4-3-7-13(15)16/h1-8H,9-10H2
InChIKeyRTPOVGOQHQTNAD-UHFFFAOYSA-N
XLogP2.58
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one (CID 896687) is 1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one is O=c1ccccn1CCOc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one?
The InChIKey is RTPOVGOQHQTNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-11-5-1-2-6-12(11)17-10-9-15-8-4-3-7-13(15)16/h1-8H,9-10H2.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one?
1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one has a molecular weight of 249.70 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 896687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).