5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one

C13H13NO3 — CID 13130143

IUPAC5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one
SMILESCc1ccc(-n2cc(O)c(=O)cc2CO)cc1
InChIInChI=1S/C13H13NO3/c1-9-2-4-10(5-3-9)14-7-13(17)12(16)6-11(14)8-15/h2-7,15,17H,8H2,1H3
InChIKeyMDNMDOSQNMGIAA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.34
Rot. Bonds2

About 5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one

5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one (PubChem CID 13130143) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one
PubChem CID13130143
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one
SMILESCc1ccc(-n2cc(O)c(=O)cc2CO)cc1
InChIInChI=1S/C13H13NO3/c1-9-2-4-10(5-3-9)14-7-13(17)12(16)6-11(14)8-15/h2-7,15,17H,8H2,1H3
InChIKeyMDNMDOSQNMGIAA-UHFFFAOYSA-N
XLogP1.34
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one (CID 13130143) is 5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one is Cc1ccc(-n2cc(O)c(=O)cc2CO)cc1.
What is the InChIKey of 5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one?
The InChIKey is MDNMDOSQNMGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9-2-4-10(5-3-9)14-7-13(17)12(16)6-11(14)8-15/h2-7,15,17H,8H2,1H3.
What are the key properties of 5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one?
5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one has a molecular weight of 231.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one is sourced from PubChem (CID 13130143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).