1-acetyl-3-hydroxypyridin-2-one

C7H7NO3 — CID 13336726

IUPAC1-acetyl-3-hydroxypyridin-2-one
SMILESCC(=O)n1cccc(O)c1=O
InChIInChI=1S/C7H7NO3/c1-5(9)8-4-2-3-6(10)7(8)11/h2-4,10H,1H3
InChIKeyIFMPLEKNXYHLQF-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.21
Rot. Bonds

About 1-acetyl-3-hydroxypyridin-2-one

1-acetyl-3-hydroxypyridin-2-one (PubChem CID 13336726) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-acetyl-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-acetyl-3-hydroxypyridin-2-one
PubChem CID13336726
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name1-acetyl-3-hydroxypyridin-2-one
SMILESCC(=O)n1cccc(O)c1=O
InChIInChI=1S/C7H7NO3/c1-5(9)8-4-2-3-6(10)7(8)11/h2-4,10H,1H3
InChIKeyIFMPLEKNXYHLQF-UHFFFAOYSA-N
XLogP0.21
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-hydroxypyridin-2-one?
The IUPAC name of 1-acetyl-3-hydroxypyridin-2-one (CID 13336726) is 1-acetyl-3-hydroxypyridin-2-one.
What is the SMILES notation for 1-acetyl-3-hydroxypyridin-2-one?
The canonical SMILES for 1-acetyl-3-hydroxypyridin-2-one is CC(=O)n1cccc(O)c1=O.
What is the InChIKey of 1-acetyl-3-hydroxypyridin-2-one?
The InChIKey is IFMPLEKNXYHLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-5(9)8-4-2-3-6(10)7(8)11/h2-4,10H,1H3.
What are the key properties of 1-acetyl-3-hydroxypyridin-2-one?
1-acetyl-3-hydroxypyridin-2-one has a molecular weight of 153.14 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-hydroxypyridin-2-one is sourced from PubChem (CID 13336726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).