5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one

C13H9Cl2NO2 — CID 901045

IUPAC5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Cl)ccc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO2/c14-10-3-1-9(2-4-10)12(17)8-16-7-11(15)5-6-13(16)18/h1-7H,8H2
InChIKeyDJRBRMNAFMTJIK-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.04
Rot. Bonds3

About 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one

5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one (PubChem CID 901045) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one
PubChem CID901045
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Cl)ccc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO2/c14-10-3-1-9(2-4-10)12(17)8-16-7-11(15)5-6-13(16)18/h1-7H,8H2
InChIKeyDJRBRMNAFMTJIK-UHFFFAOYSA-N
XLogP3.04
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one (CID 901045) is 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Cl)ccc1=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one?
The InChIKey is DJRBRMNAFMTJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-10-3-1-9(2-4-10)12(17)8-16-7-11(15)5-6-13(16)18/h1-7H,8H2.
What are the key properties of 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one?
5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one has a molecular weight of 282.13 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 901045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).