5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione

C12H8ClNO4 — CID 101230766

IUPAC5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione
SMILESCN1C(=O)C(=O)C(O)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H8ClNO4/c1-14-11(17)8(9(15)10(16)12(14)18)6-2-4-7(13)5-3-6/h2-5,15H,1H3
InChIKeyADJSRWBDNAOLAM-UHFFFAOYSA-N
MW265.65 g/mol
LogP1.18
Rot. Bonds1

About 5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione

5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione (PubChem CID 101230766) has the molecular formula C12H8ClNO4 and a molecular weight of 265.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione
PubChem CID101230766
Molecular FormulaC12H8ClNO4
Molecular Weight265.65 g/mol
Exact Mass265.01
IUPAC Name5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione
SMILESCN1C(=O)C(=O)C(O)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H8ClNO4/c1-14-11(17)8(9(15)10(16)12(14)18)6-2-4-7(13)5-3-6/h2-5,15H,1H3
InChIKeyADJSRWBDNAOLAM-UHFFFAOYSA-N
XLogP1.18
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 51.18
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione?
The IUPAC name of 5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione (CID 101230766) is 5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione.
What is the SMILES notation for 5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione?
The canonical SMILES for 5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione is CN1C(=O)C(=O)C(O)=C(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione?
The InChIKey is ADJSRWBDNAOLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO4/c1-14-11(17)8(9(15)10(16)12(14)18)6-2-4-7(13)5-3-6/h2-5,15H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione?
5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione has a molecular weight of 265.65 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione is sourced from PubChem (CID 101230766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).