6-Benzyl-1,4-dihydroxypyridin-2-one

C12H11NO3 — CID 101884792

IUPAC6-benzyl-1,4-dihydroxypyridin-2-one
SMILESC1=CC=C(C=C1)CC2=CC(=CC(=O)N2O)O
InChIInChI=1S/C12H11NO3/c14-11-7-10(13(16)12(15)8-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,16H,6H2
InChIKeyFFONDJMUEULHQI-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.20
Rot. Bonds2

About 6-Benzyl-1,4-dihydroxypyridin-2-one

6-Benzyl-1,4-dihydroxypyridin-2-one (PubChem CID 101884792) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 6-benzyl-1,4-dihydroxypyridin-2-one.

Molecular Properties

Compound Name6-Benzyl-1,4-dihydroxypyridin-2-one
PubChem CID101884792
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name6-benzyl-1,4-dihydroxypyridin-2-one
SMILESC1=CC=C(C=C1)CC2=CC(=CC(=O)N2O)O
InChIInChI=1S/C12H11NO3/c14-11-7-10(13(16)12(15)8-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,16H,6H2
InChIKeyFFONDJMUEULHQI-UHFFFAOYSA-N
XLogP1.20
TPSA60.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity340

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
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-1,4-dihydroxypyridin-2-one?
The IUPAC name of 6-Benzyl-1,4-dihydroxypyridin-2-one (CID 101884792) is 6-benzyl-1,4-dihydroxypyridin-2-one.
What is the SMILES notation for 6-Benzyl-1,4-dihydroxypyridin-2-one?
The canonical SMILES for 6-Benzyl-1,4-dihydroxypyridin-2-one is C1=CC=C(C=C1)CC2=CC(=CC(=O)N2O)O.
What is the InChIKey of 6-Benzyl-1,4-dihydroxypyridin-2-one?
The InChIKey is FFONDJMUEULHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11-7-10(13(16)12(15)8-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,16H,6H2.
What are the key properties of 6-Benzyl-1,4-dihydroxypyridin-2-one?
6-Benzyl-1,4-dihydroxypyridin-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Benzyl-1,4-dihydroxypyridin-2-one is sourced from PubChem (CID 101884792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).