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

C12H8ClNO4 — CID 10967428

IUPAC5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione
SMILESCOC1=C(c2ccc(Cl)cc2)C(=O)NC(=O)C1=O
InChIInChI=1S/C12H8ClNO4/c1-18-10-8(6-2-4-7(13)5-3-6)11(16)14-12(17)9(10)15/h2-5H,1H3,(H,14,16,17)
InChIKeyUEUBCXJMWPTWOT-UHFFFAOYSA-N
MW265.65 g/mol
LogP0.92
Rot. Bonds2

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

5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione (PubChem CID 10967428) has the molecular formula C12H8ClNO4 and a molecular weight of 265.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione
PubChem CID10967428
Molecular FormulaC12H8ClNO4
Molecular Weight265.65 g/mol
Exact Mass265.01
IUPAC Name5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione
SMILESCOC1=C(c2ccc(Cl)cc2)C(=O)NC(=O)C1=O
InChIInChI=1S/C12H8ClNO4/c1-18-10-8(6-2-4-7(13)5-3-6)11(16)14-12(17)9(10)15/h2-5H,1H3,(H,14,16,17)
InChIKeyUEUBCXJMWPTWOT-UHFFFAOYSA-N
XLogP0.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 50.92
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-methoxypyridine-2,3,6-trione?
The IUPAC name of 5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione (CID 10967428) is 5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione?
The canonical SMILES for 5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione is COC1=C(c2ccc(Cl)cc2)C(=O)NC(=O)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione?
The InChIKey is UEUBCXJMWPTWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO4/c1-18-10-8(6-2-4-7(13)5-3-6)11(16)14-12(17)9(10)15/h2-5H,1H3,(H,14,16,17).
What are the key properties of 5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione?
5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione has a molecular weight of 265.65 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methoxypyridine-2,3,6-trione is sourced from PubChem (CID 10967428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).