5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione

C11H6ClNO4 — CID 54680720

IUPAC5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione
SMILESO=C1NC(=O)C(c2ccc(Cl)cc2)=C(O)C1=O
InChIInChI=1S/C11H6ClNO4/c12-6-3-1-5(2-4-6)7-8(14)9(15)11(17)13-10(7)16/h1-4,14H,(H,13,16,17)
InChIKeyHFAQLUKSDHNXLK-UHFFFAOYSA-N
MW251.62 g/mol
LogP0.83
Rot. Bonds1

About 5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione

5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione (PubChem CID 54680720) has the molecular formula C11H6ClNO4 and a molecular weight of 251.62 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione
PubChem CID54680720
Molecular FormulaC11H6ClNO4
Molecular Weight251.62 g/mol
Exact Mass251.00
IUPAC Name5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione
SMILESO=C1NC(=O)C(c2ccc(Cl)cc2)=C(O)C1=O
InChIInChI=1S/C11H6ClNO4/c12-6-3-1-5(2-4-6)7-8(14)9(15)11(17)13-10(7)16/h1-4,14H,(H,13,16,17)
InChIKeyHFAQLUKSDHNXLK-UHFFFAOYSA-N
XLogP0.83
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.62
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-Dichlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 68410914
3-(3-Chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 150376005
5-(4-Chlorophenyl)-4-methoxypyridine-2,3,6-trione
CID 10967428
(6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione
CID 54698843
4-Hydroxy-5-phenylpyridine-2,3,6-trione
CID 54706579
(5E)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione
CID 54706690
(5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione
CID 54712880
5-(4-Chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione
CID 101230766
3-(4-Chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110170356

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione?
The IUPAC name of 5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione (CID 54680720) is 5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione.
What is the SMILES notation for 5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione?
The canonical SMILES for 5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione is O=C1NC(=O)C(c2ccc(Cl)cc2)=C(O)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione?
The InChIKey is HFAQLUKSDHNXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO4/c12-6-3-1-5(2-4-6)7-8(14)9(15)11(17)13-10(7)16/h1-4,14H,(H,13,16,17).
What are the key properties of 5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione?
5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione has a molecular weight of 251.62 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione is sourced from PubChem (CID 54680720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).