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

C17H13ClN2O3 — CID 700013

IUPAC(2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c1-10(21)14-15(11-4-6-12(18)7-5-11)20(17(23)16(14)22)13-3-2-8-19-9-13/h2-9,15,22H,1H3/t15-/m0/s1
InChIKeySHPLLJHOSVXHSP-HNNXBMFYSA-N
MW328.76 g/mol
LogP3.22
Rot. Bonds3

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

(2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 700013) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is (2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID700013
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name(2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c1-10(21)14-15(11-4-6-12(18)7-5-11)20(17(23)16(14)22)13-3-2-8-19-9-13/h2-9,15,22H,1H3/t15-/m0/s1
InChIKeySHPLLJHOSVXHSP-HNNXBMFYSA-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

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Related Compounds

(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
CID 700028
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 767338
3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2890302
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 5345720
1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629930
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyl-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 5345808
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 1122926
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 1122903
2-[4-(3-acetyl-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl)phenoxy]acetic acid;hydrochloride
CID 90485357
(5S)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 41249017
1-(4-chlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108582601

Frequently Asked Questions

What is the IUPAC name of (2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of (2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one (CID 700013) is (2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is SHPLLJHOSVXHSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-10(21)14-15(11-4-6-12(18)7-5-11)20(17(23)16(14)22)13-3-2-8-19-9-13/h2-9,15,22H,1H3/t15-/m0/s1.
What are the key properties of (2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one?
(2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-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 (2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 700013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).