5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C15H15NO4 — CID 71282005

IUPAC5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(C)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C15H15NO4/c1-3-10-12(9-6-4-8(2)5-7-9)16-14(18)11(13(10)17)15(19)20/h4-7H,3H2,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeyQJSLMOYCCFGILF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.32
Rot. Bonds3

About 5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71282005) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71282005
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(C)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C15H15NO4/c1-3-10-12(9-6-4-8(2)5-7-9)16-14(18)11(13(10)17)15(19)20/h4-7H,3H2,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeyQJSLMOYCCFGILF-UHFFFAOYSA-N
XLogP2.32
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 71282005) is 5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(C)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is QJSLMOYCCFGILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-10-12(9-6-4-8(2)5-7-9)16-14(18)11(13(10)17)15(19)20/h4-7H,3H2,1-2H3,(H,19,20)(H2,16,17,18).
What are the key properties of 5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71282005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).