5-acetyl-6-hydroxy-1-methylpyridin-2-one

C8H9NO3 — CID 18398295

IUPAC5-acetyl-6-hydroxy-1-methylpyridin-2-one
SMILESCC(=O)c1ccc(=O)n(C)c1O
InChIInChI=1S/C8H9NO3/c1-5(10)6-3-4-7(11)9(2)8(6)12/h3-4,12H,1-2H3
InChIKeyJQXPEDXQYNJZLX-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.29
Rot. Bonds1

About 5-acetyl-6-hydroxy-1-methylpyridin-2-one

5-acetyl-6-hydroxy-1-methylpyridin-2-one (PubChem CID 18398295) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-acetyl-6-hydroxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-acetyl-6-hydroxy-1-methylpyridin-2-one
PubChem CID18398295
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name5-acetyl-6-hydroxy-1-methylpyridin-2-one
SMILESCC(=O)c1ccc(=O)n(C)c1O
InChIInChI=1S/C8H9NO3/c1-5(10)6-3-4-7(11)9(2)8(6)12/h3-4,12H,1-2H3
InChIKeyJQXPEDXQYNJZLX-UHFFFAOYSA-N
XLogP0.29
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-hydroxy-1-methylpyridin-2-one?
The IUPAC name of 5-acetyl-6-hydroxy-1-methylpyridin-2-one (CID 18398295) is 5-acetyl-6-hydroxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-acetyl-6-hydroxy-1-methylpyridin-2-one?
The canonical SMILES for 5-acetyl-6-hydroxy-1-methylpyridin-2-one is CC(=O)c1ccc(=O)n(C)c1O.
What is the InChIKey of 5-acetyl-6-hydroxy-1-methylpyridin-2-one?
The InChIKey is JQXPEDXQYNJZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5(10)6-3-4-7(11)9(2)8(6)12/h3-4,12H,1-2H3.
What are the key properties of 5-acetyl-6-hydroxy-1-methylpyridin-2-one?
5-acetyl-6-hydroxy-1-methylpyridin-2-one has a molecular weight of 167.16 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-hydroxy-1-methylpyridin-2-one is sourced from PubChem (CID 18398295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).