5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one

C13H13NO3 — CID 130407768

IUPAC5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one
SMILESCOc1cccc(-n2cc(O)c(=O)cc2C)c1
InChIInChI=1S/C13H13NO3/c1-9-6-12(15)13(16)8-14(9)10-4-3-5-11(7-10)17-2/h3-8,16H,1-2H3
InChIKeyWBPQTWBYELYZQA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.86
Rot. Bonds2

About 5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one

5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one (PubChem CID 130407768) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one
PubChem CID130407768
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one
SMILESCOc1cccc(-n2cc(O)c(=O)cc2C)c1
InChIInChI=1S/C13H13NO3/c1-9-6-12(15)13(16)8-14(9)10-4-3-5-11(7-10)17-2/h3-8,16H,1-2H3
InChIKeyWBPQTWBYELYZQA-UHFFFAOYSA-N
XLogP1.86
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one (CID 130407768) is 5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one is COc1cccc(-n2cc(O)c(=O)cc2C)c1.
What is the InChIKey of 5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one?
The InChIKey is WBPQTWBYELYZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9-6-12(15)13(16)8-14(9)10-4-3-5-11(7-10)17-2/h3-8,16H,1-2H3.
What are the key properties of 5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one?
5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one has a molecular weight of 231.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 130407768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).