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

C14H12ClNO4 — CID 71281772

IUPAC6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(Cl)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C14H12ClNO4/c1-2-9-11(7-3-5-8(15)6-4-7)16-13(18)10(12(9)17)14(19)20/h3-6H,2H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyYHKCNPZXCXZJOL-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.66
Rot. Bonds3

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

6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281772) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281772
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(Cl)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C14H12ClNO4/c1-2-9-11(7-3-5-8(15)6-4-7)16-13(18)10(12(9)17)14(19)20/h3-6H,2H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyYHKCNPZXCXZJOL-UHFFFAOYSA-N
XLogP2.66
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281772) is 6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(Cl)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is YHKCNPZXCXZJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-2-9-11(7-3-5-8(15)6-4-7)16-13(18)10(12(9)17)14(19)20/h3-6H,2H2,1H3,(H,19,20)(H2,16,17,18).
What are the key properties of 6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).