2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C13H8ClNO5 — CID 4674347

IUPAC2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(=O)[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClNO5/c14-7-3-1-6(2-4-7)10-8(12(17)18)5-9(13(19)20)11(16)15-10/h1-5H,(H,15,16)(H,17,18)(H,19,20)
InChIKeyRXZSSSWIYCAJRY-UHFFFAOYSA-N
MW293.66 g/mol
LogP2.09
Rot. Bonds3

About 2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 4674347) has the molecular formula C13H8ClNO5 and a molecular weight of 293.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID4674347
Molecular FormulaC13H8ClNO5
Molecular Weight293.66 g/mol
Exact Mass293.01
IUPAC Name2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(=O)[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClNO5/c14-7-3-1-6(2-4-7)10-8(12(17)18)5-9(13(19)20)11(16)15-10/h1-5H,(H,15,16)(H,17,18)(H,19,20)
InChIKeyRXZSSSWIYCAJRY-UHFFFAOYSA-N
XLogP2.09
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.66
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxo-6-phenyl-1,2-dihydropyridine-3-carboxylic acid
CID 2767304
6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281772
6-(2-Chlorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 11776853
2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 4674348
2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 4674349
6-(3-Chlorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 10264093
1-(2-Chlorobenzyl)-3-carboxy-4,6-dimethylpyrid-2-one
CID 20316353
6-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 69417477
2-(4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 71282059
2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid
CID 82649694
5-fluoro-2-oxo-6-phenyl-1H-pyridine-3-carboxylic acid
CID 168205558
2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid
CID 4135202

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 4674347) is 2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c(=O)[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is RXZSSSWIYCAJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO5/c14-7-3-1-6(2-4-7)10-8(12(17)18)5-9(13(19)20)11(16)15-10/h1-5H,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 293.66 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 4674347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).