ethyl 1-hydroxy-6-oxopyridine-3-carboxylate

C8H9NO4 — CID 141404003

IUPACethyl 1-hydroxy-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(O)c1
InChIInChI=1S/C8H9NO4/c1-2-13-8(11)6-3-4-7(10)9(12)5-6/h3-5,12H,2H2,1H3
InChIKeyJRODDCKQWTVKCZ-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.26
Rot. Bonds2

About ethyl 1-hydroxy-6-oxopyridine-3-carboxylate

ethyl 1-hydroxy-6-oxopyridine-3-carboxylate (PubChem CID 141404003) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is ethyl 1-hydroxy-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxy-6-oxopyridine-3-carboxylate
PubChem CID141404003
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Nameethyl 1-hydroxy-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(O)c1
InChIInChI=1S/C8H9NO4/c1-2-13-8(11)6-3-4-7(10)9(12)5-6/h3-5,12H,2H2,1H3
InChIKeyJRODDCKQWTVKCZ-UHFFFAOYSA-N
XLogP0.26
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxy-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-hydroxy-6-oxopyridine-3-carboxylate (CID 141404003) is ethyl 1-hydroxy-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-hydroxy-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-hydroxy-6-oxopyridine-3-carboxylate is CCOC(=O)c1ccc(=O)n(O)c1.
What is the InChIKey of ethyl 1-hydroxy-6-oxopyridine-3-carboxylate?
The InChIKey is JRODDCKQWTVKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-2-13-8(11)6-3-4-7(10)9(12)5-6/h3-5,12H,2H2,1H3.
What are the key properties of ethyl 1-hydroxy-6-oxopyridine-3-carboxylate?
ethyl 1-hydroxy-6-oxopyridine-3-carboxylate has a molecular weight of 183.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxy-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 141404003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).