1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid

C8H9NO4 — CID 118948928

IUPAC1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid
SMILESCCn1ccc(O)c(C(=O)O)c1=O
InChIInChI=1S/C8H9NO4/c1-2-9-4-3-5(10)6(7(9)11)8(12)13/h3-4,10H,2H2,1H3,(H,12,13)
InChIKeyAUUPDCBHLGGZSL-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.27
Rot. Bonds2

About 1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid

1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid (PubChem CID 118948928) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid
PubChem CID118948928
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid
SMILESCCn1ccc(O)c(C(=O)O)c1=O
InChIInChI=1S/C8H9NO4/c1-2-9-4-3-5(10)6(7(9)11)8(12)13/h3-4,10H,2H2,1H3,(H,12,13)
InChIKeyAUUPDCBHLGGZSL-UHFFFAOYSA-N
XLogP0.27
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid (CID 118948928) is 1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid is CCn1ccc(O)c(C(=O)O)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The InChIKey is AUUPDCBHLGGZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-2-9-4-3-5(10)6(7(9)11)8(12)13/h3-4,10H,2H2,1H3,(H,12,13).
What are the key properties of 1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid?
1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 118948928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).