1-hydroxy-2H-pyridine-3,6-dione

C5H5NO3 — CID 130027681

IUPAC1-hydroxy-2H-pyridine-3,6-dione
SMILESO=C1C=CC(=O)N(O)C1
InChIInChI=1S/C5H5NO3/c7-4-1-2-5(8)6(9)3-4/h1-2,9H,3H2
InChIKeyKORYLFCILJUBAF-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.66
Rot. Bonds

About 1-hydroxy-2H-pyridine-3,6-dione

1-hydroxy-2H-pyridine-3,6-dione (PubChem CID 130027681) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1-hydroxy-2H-pyridine-3,6-dione.

Molecular Properties

Compound Name1-hydroxy-2H-pyridine-3,6-dione
PubChem CID130027681
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name1-hydroxy-2H-pyridine-3,6-dione
SMILESO=C1C=CC(=O)N(O)C1
InChIInChI=1S/C5H5NO3/c7-4-1-2-5(8)6(9)3-4/h1-2,9H,3H2
InChIKeyKORYLFCILJUBAF-UHFFFAOYSA-N
XLogP-0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2H-pyridine-3,6-dione?
The IUPAC name of 1-hydroxy-2H-pyridine-3,6-dione (CID 130027681) is 1-hydroxy-2H-pyridine-3,6-dione.
What is the SMILES notation for 1-hydroxy-2H-pyridine-3,6-dione?
The canonical SMILES for 1-hydroxy-2H-pyridine-3,6-dione is O=C1C=CC(=O)N(O)C1.
What is the InChIKey of 1-hydroxy-2H-pyridine-3,6-dione?
The InChIKey is KORYLFCILJUBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-4-1-2-5(8)6(9)3-4/h1-2,9H,3H2.
What are the key properties of 1-hydroxy-2H-pyridine-3,6-dione?
1-hydroxy-2H-pyridine-3,6-dione has a molecular weight of 127.10 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2H-pyridine-3,6-dione is sourced from PubChem (CID 130027681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).