3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid

C9H9NO6 — CID 174454709

IUPAC3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCCOC(=O)c1c(O)cc(=O)[nH]c1C(=O)O
InChIInChI=1S/C9H9NO6/c1-2-16-9(15)6-4(11)3-5(12)10-7(6)8(13)14/h3H,2H2,1H3,(H,13,14)(H2,10,11,12)
InChIKeyYFCYCXOOLHCZOJ-UHFFFAOYSA-N
MW227.17 g/mol
LogP-0.04
Rot. Bonds3

About 3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid

3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 174454709) has the molecular formula C9H9NO6 and a molecular weight of 227.17 g/mol. Its IUPAC name is 3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID174454709
Molecular FormulaC9H9NO6
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCCOC(=O)c1c(O)cc(=O)[nH]c1C(=O)O
InChIInChI=1S/C9H9NO6/c1-2-16-9(15)6-4(11)3-5(12)10-7(6)8(13)14/h3H,2H2,1H3,(H,13,14)(H2,10,11,12)
InChIKeyYFCYCXOOLHCZOJ-UHFFFAOYSA-N
XLogP-0.04
TPSA116.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid (CID 174454709) is 3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid is CCOC(=O)c1c(O)cc(=O)[nH]c1C(=O)O.
What is the InChIKey of 3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is YFCYCXOOLHCZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO6/c1-2-16-9(15)6-4(11)3-5(12)10-7(6)8(13)14/h3H,2H2,1H3,(H,13,14)(H2,10,11,12).
What are the key properties of 3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 227.17 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 174454709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).