3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one

C17H12BrClN2O3 — CID 2890302

IUPAC3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(Br)cn2)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H12BrClN2O3/c1-9(22)14-15(10-2-5-12(19)6-3-10)21(17(24)16(14)23)13-7-4-11(18)8-20-13/h2-8,15,23H,1H3
InChIKeyHIMZXLAHVUSIII-UHFFFAOYSA-N
MW407.65 g/mol
LogP3.99
Rot. Bonds3

About 3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one

3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 2890302) has the molecular formula C17H12BrClN2O3 and a molecular weight of 407.65 g/mol. Its IUPAC name is 3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID2890302
Molecular FormulaC17H12BrClN2O3
Molecular Weight407.65 g/mol
Exact Mass405.97
IUPAC Name3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(Br)cn2)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H12BrClN2O3/c1-9(22)14-15(10-2-5-12(19)6-3-10)21(17(24)16(14)23)13-7-4-11(18)8-20-13/h2-8,15,23H,1H3
InChIKeyHIMZXLAHVUSIII-UHFFFAOYSA-N
XLogP3.99
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.65
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one
CID 1108823
(2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
CID 700013
(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
CID 700028
(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 767338
(4E,5R)-1-(5-bromo-2-pyridinyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
CID 5435038
(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 7008582
(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 790607
(2R)-3-acetyl-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1345494
3-acetyl-1-(2-aminoethyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 43859707
(2S)-3-acetyl-1-(3-bromophenyl)-2-(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1106612
4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione
CID 91321463
3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
CID 46864614

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 2890302) is 3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cn2)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is HIMZXLAHVUSIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2O3/c1-9(22)14-15(10-2-5-12(19)6-3-10)21(17(24)16(14)23)13-7-4-11(18)8-20-13/h2-8,15,23H,1H3.
What are the key properties of 3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 407.65 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 2890302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).