1,3-dihydroxypyridin-2-one

C5H5NO3 — CID 642645

IUPAC1,3-dihydroxypyridin-2-one
SMILESO=c1c(O)cccn1O
InChIInChI=1S/C5H5NO3/c7-4-2-1-3-6(9)5(4)8/h1-3,7,9H
InChIKeyRFSIMZHQROYDFQ-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.21
Rot. Bonds

About 1,3-dihydroxypyridin-2-one

1,3-dihydroxypyridin-2-one (PubChem CID 642645) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1,3-dihydroxypyridin-2-one.

Molecular Properties

Compound Name1,3-dihydroxypyridin-2-one
PubChem CID642645
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name1,3-dihydroxypyridin-2-one
SMILESO=c1c(O)cccn1O
InChIInChI=1S/C5H5NO3/c7-4-2-1-3-6(9)5(4)8/h1-3,7,9H
InChIKeyRFSIMZHQROYDFQ-UHFFFAOYSA-N
XLogP-0.21
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,3-dihydroxypyridin-2-one?
The IUPAC name of 1,3-dihydroxypyridin-2-one (CID 642645) is 1,3-dihydroxypyridin-2-one.
What is the SMILES notation for 1,3-dihydroxypyridin-2-one?
The canonical SMILES for 1,3-dihydroxypyridin-2-one is O=c1c(O)cccn1O.
What is the InChIKey of 1,3-dihydroxypyridin-2-one?
The InChIKey is RFSIMZHQROYDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-4-2-1-3-6(9)5(4)8/h1-3,7,9H.
What are the key properties of 1,3-dihydroxypyridin-2-one?
1,3-dihydroxypyridin-2-one has a molecular weight of 127.10 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypyridin-2-one is sourced from PubChem (CID 642645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).