1-hydroxy-4H-pyridine-2,3-dione

C5H5NO3 — CID 139594038

IUPAC1-hydroxy-4H-pyridine-2,3-dione
SMILESO=C1CC=CN(O)C1=O
InChIInChI=1S/C5H5NO3/c7-4-2-1-3-6(9)5(4)8/h1,3,9H,2H2
InChIKeyVVLUMHKDNJIEEU-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.31
Rot. Bonds

About 1-hydroxy-4H-pyridine-2,3-dione

1-hydroxy-4H-pyridine-2,3-dione (PubChem CID 139594038) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1-hydroxy-4H-pyridine-2,3-dione.

Molecular Properties

Compound Name1-hydroxy-4H-pyridine-2,3-dione
PubChem CID139594038
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name1-hydroxy-4H-pyridine-2,3-dione
SMILESO=C1CC=CN(O)C1=O
InChIInChI=1S/C5H5NO3/c7-4-2-1-3-6(9)5(4)8/h1,3,9H,2H2
InChIKeyVVLUMHKDNJIEEU-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hydroxydihydropyridinone
CID 69149460
1-Hydroxy-2,4-dihydropyridin-3-one
CID 54253218
1-methyl-4H-pyridine-2,3-dione
CID 129415835
1-bromo-4H-pyridine-2,3-dione
CID 140650803
tris(1-hydroxy-4H-pyridine-2,3-dione);iron
CID 173542303

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4H-pyridine-2,3-dione?
The IUPAC name of 1-hydroxy-4H-pyridine-2,3-dione (CID 139594038) is 1-hydroxy-4H-pyridine-2,3-dione.
What is the SMILES notation for 1-hydroxy-4H-pyridine-2,3-dione?
The canonical SMILES for 1-hydroxy-4H-pyridine-2,3-dione is O=C1CC=CN(O)C1=O.
What is the InChIKey of 1-hydroxy-4H-pyridine-2,3-dione?
The InChIKey is VVLUMHKDNJIEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-4-2-1-3-6(9)5(4)8/h1,3,9H,2H2.
What are the key properties of 1-hydroxy-4H-pyridine-2,3-dione?
1-hydroxy-4H-pyridine-2,3-dione has a molecular weight of 127.10 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4H-pyridine-2,3-dione is sourced from PubChem (CID 139594038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).