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

C17H13BrN2O3 — CID 1108823

IUPAC(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C17H13BrN2O3/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/t15-/m0/s1
InChIKeyDGOFIZBKXNJWSR-HNNXBMFYSA-N
MW373.21 g/mol
LogP3.33
Rot. Bonds3

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

(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 1108823) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is (2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID1108823
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C17H13BrN2O3/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/t15-/m0/s1
InChIKeyDGOFIZBKXNJWSR-HNNXBMFYSA-N
XLogP3.33
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-3-acetyl-2-(4-bromophenyl)-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

Related Compounds

(2R)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-1-pyridin-2-yl-2H-pyrrol-5-one
CID 786176
3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2890302
(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 7008582
(2S)-3-acetyl-1-(3-bromophenyl)-2-(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1106612
(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 790607
2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one
CID 18828846
(2R)-3-acetyl-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1345494
(5S)-5-(4-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 40929434
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
4-[(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
CID 40941574
4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 3122182
(2S,5S)-2-(4-bromophenyl)-1-(3-oxobutyl)-5-propan-2-yl-3-pyridin-2-ylimidazolidin-4-one
CID 46192242

Frequently Asked Questions

What is the IUPAC name of (2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of (2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one (CID 1108823) is (2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is DGOFIZBKXNJWSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/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/t15-/m0/s1.
What are the key properties of (2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one?
(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 373.21 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 1108823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).