1-hydroxy-3-methylpyridin-2-one

C6H7NO2 — CID 59467960

IUPAC1-hydroxy-3-methylpyridin-2-one
SMILESCc1cccn(O)c1=O
InChIInChI=1S/C6H7NO2/c1-5-3-2-4-7(9)6(5)8/h2-4,9H,1H3
InChIKeyAUFYACSDOTUKAF-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.39
Rot. Bonds

About 1-hydroxy-3-methylpyridin-2-one

1-hydroxy-3-methylpyridin-2-one (PubChem CID 59467960) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-hydroxy-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-3-methylpyridin-2-one
PubChem CID59467960
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-hydroxy-3-methylpyridin-2-one
SMILESCc1cccn(O)c1=O
InChIInChI=1S/C6H7NO2/c1-5-3-2-4-7(9)6(5)8/h2-4,9H,1H3
InChIKeyAUFYACSDOTUKAF-UHFFFAOYSA-N
XLogP0.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-3-methylpyridin-2-one?
The IUPAC name of 1-hydroxy-3-methylpyridin-2-one (CID 59467960) is 1-hydroxy-3-methylpyridin-2-one.
What is the SMILES notation for 1-hydroxy-3-methylpyridin-2-one?
The canonical SMILES for 1-hydroxy-3-methylpyridin-2-one is Cc1cccn(O)c1=O.
What is the InChIKey of 1-hydroxy-3-methylpyridin-2-one?
The InChIKey is AUFYACSDOTUKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-5-3-2-4-7(9)6(5)8/h2-4,9H,1H3.
What are the key properties of 1-hydroxy-3-methylpyridin-2-one?
1-hydroxy-3-methylpyridin-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methylpyridin-2-one is sourced from PubChem (CID 59467960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).