1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one

C18H15ClN2O4 — CID 108593986

IUPAC1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)C1c1ccncc1
InChIInChI=1S/C18H15ClN2O4/c1-2-13(22)15-16(10-5-7-20-8-6-10)21(18(25)17(15)24)12-9-11(19)3-4-14(12)23/h3-9,16,23-24H,2H2,1H3
InChIKeyLXCSHUTWHAQVMO-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.32
Rot. Bonds4

About 1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one

1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 108593986) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID108593986
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)C1c1ccncc1
InChIInChI=1S/C18H15ClN2O4/c1-2-13(22)15-16(10-5-7-20-8-6-10)21(18(25)17(15)24)12-9-11(19)3-4-14(12)23/h3-9,16,23-24H,2H2,1H3
InChIKeyLXCSHUTWHAQVMO-UHFFFAOYSA-N
XLogP3.32
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108632810
(4E)-1-(5-chloro-2-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108593968
1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593463
1-(5-chloro-2-methylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593462
1-(4-chloro-2-methylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593898
4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108725203
(4E)-1-(5-chloro-2-hydroxyphenyl)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108593929
1-(4-chlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108582601
(4Z)-1-(5-chloro-2-hydroxyphenyl)-4-[(4-ethoxy-3-propan-2-ylphenyl)-hydroxymethylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108593933
4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108617309
1-(5-chloro-2-hydroxyphenyl)-3-(2,2-dimethylpropanoyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108716472
1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630627

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one (CID 108593986) is 1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)C1c1ccncc1.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is LXCSHUTWHAQVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-2-13(22)15-16(10-5-7-20-8-6-10)21(18(25)17(15)24)12-9-11(19)3-4-14(12)23/h3-9,16,23-24H,2H2,1H3.
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 358.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108593986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).