1-benzyl-5-hydroxy-2-methylpyridin-4-one

C13H13NO2 — CID 123130720

IUPAC1-benzyl-5-hydroxy-2-methylpyridin-4-one
SMILESCc1cc(=O)c(O)cn1Cc1ccccc1
InChIInChI=1S/C13H13NO2/c1-10-7-12(15)13(16)9-14(10)8-11-5-3-2-4-6-11/h2-7,9,16H,8H2,1H3
InChIKeyLHAXURNWLWAQGR-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.91
Rot. Bonds2

About 1-benzyl-5-hydroxy-2-methylpyridin-4-one

1-benzyl-5-hydroxy-2-methylpyridin-4-one (PubChem CID 123130720) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-2-methylpyridin-4-one
PubChem CID123130720
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-benzyl-5-hydroxy-2-methylpyridin-4-one
SMILESCc1cc(=O)c(O)cn1Cc1ccccc1
InChIInChI=1S/C13H13NO2/c1-10-7-12(15)13(16)9-14(10)8-11-5-3-2-4-6-11/h2-7,9,16H,8H2,1H3
InChIKeyLHAXURNWLWAQGR-UHFFFAOYSA-N
XLogP1.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-benzyl-5-hydroxy-2-methylpyridin-4-one (CID 123130720) is 1-benzyl-5-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-benzyl-5-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-benzyl-5-hydroxy-2-methylpyridin-4-one is Cc1cc(=O)c(O)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-hydroxy-2-methylpyridin-4-one?
The InChIKey is LHAXURNWLWAQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10-7-12(15)13(16)9-14(10)8-11-5-3-2-4-6-11/h2-7,9,16H,8H2,1H3.
What are the key properties of 1-benzyl-5-hydroxy-2-methylpyridin-4-one?
1-benzyl-5-hydroxy-2-methylpyridin-4-one has a molecular weight of 215.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 123130720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).