6-benzyl-1-hydroxypyridin-2-one

C12H11NO2 — CID 71816677

IUPAC6-benzyl-1-hydroxypyridin-2-one
SMILESO=c1cccc(Cc2ccccc2)n1O
InChIInChI=1S/C12H11NO2/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h1-8,15H,9H2
InChIKeyVSEFGEXKMSLHPO-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.68
Rot. Bonds2

About 6-benzyl-1-hydroxypyridin-2-one

6-benzyl-1-hydroxypyridin-2-one (PubChem CID 71816677) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 6-benzyl-1-hydroxypyridin-2-one.

Molecular Properties

Compound Name6-benzyl-1-hydroxypyridin-2-one
PubChem CID71816677
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name6-benzyl-1-hydroxypyridin-2-one
SMILESO=c1cccc(Cc2ccccc2)n1O
InChIInChI=1S/C12H11NO2/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h1-8,15H,9H2
InChIKeyVSEFGEXKMSLHPO-UHFFFAOYSA-N
XLogP1.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.68
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 6-benzyl-1-hydroxypyridin-2-one?
The IUPAC name of 6-benzyl-1-hydroxypyridin-2-one (CID 71816677) is 6-benzyl-1-hydroxypyridin-2-one.
What is the SMILES notation for 6-benzyl-1-hydroxypyridin-2-one?
The canonical SMILES for 6-benzyl-1-hydroxypyridin-2-one is O=c1cccc(Cc2ccccc2)n1O.
What is the InChIKey of 6-benzyl-1-hydroxypyridin-2-one?
The InChIKey is VSEFGEXKMSLHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h1-8,15H,9H2.
What are the key properties of 6-benzyl-1-hydroxypyridin-2-one?
6-benzyl-1-hydroxypyridin-2-one has a molecular weight of 201.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-hydroxypyridin-2-one is sourced from PubChem (CID 71816677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).