3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one

C17H13ClN2O3 — CID 2868141

IUPAC3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccccn2)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c1-10(21)14-15(11-5-7-12(18)8-6-11)20(17(23)16(14)22)13-4-2-3-9-19-13/h2-9,15,22H,1H3
InChIKeyYEURINGIJKHIBZ-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.22
Rot. Bonds3

About 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one

3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 2868141) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID2868141
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccccn2)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c1-10(21)14-15(11-5-7-12(18)8-6-11)20(17(23)16(14)22)13-4-2-3-9-19-13/h2-9,15,22H,1H3
InChIKeyYEURINGIJKHIBZ-UHFFFAOYSA-N
XLogP3.22
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-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 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one (CID 2868141) is 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccccn2)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is YEURINGIJKHIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-10(21)14-15(11-5-7-12(18)8-6-11)20(17(23)16(14)22)13-4-2-3-9-19-13/h2-9,15,22H,1H3.
What are the key properties of 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one?
3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 328.76 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2868141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).