2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one

C13H13NO3 — CID 23278749

IUPAC2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one
SMILESCOc1cn(-c2ccccc2)c(CO)cc1=O
InChIInChI=1S/C13H13NO3/c1-17-13-8-14(10-5-3-2-4-6-10)11(9-15)7-12(13)16/h2-8,15H,9H2,1H3
InChIKeyACHLZZQNPBIDPA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.34
Rot. Bonds3

About 2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one

2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one (PubChem CID 23278749) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one
PubChem CID23278749
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one
SMILESCOc1cn(-c2ccccc2)c(CO)cc1=O
InChIInChI=1S/C13H13NO3/c1-17-13-8-14(10-5-3-2-4-6-10)11(9-15)7-12(13)16/h2-8,15H,9H2,1H3
InChIKeyACHLZZQNPBIDPA-UHFFFAOYSA-N
XLogP1.34
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hydroxy methylphenylpyridinone
CID 10397916
1-(3,5-Dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
CID 69932313
5-Hydroxy-2-methyl-1-phenylpyridin-4-one
CID 89475995
1-(4-Butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
CID 118736604
5-Hydroxy-2-(hydroxymethyl)-1-phenylpyridin-4(1H)-one
CID 12468238
3-Hydroxy-1-phenylpyridin-4-one
CID 69932581
5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one
CID 130407634
2-(Anilinomethyl)-5-hydroxypyran-4-one
CID 130407637
2-[(3-fluoro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407896
2-[(4-fluoro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407903
5-Hydroxy-2-methyl-1-(4-morpholin-4-ylphenyl)pyridin-4-one
CID 130408004
5-Hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one
CID 13130143

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one (CID 23278749) is 2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one is COc1cn(-c2ccccc2)c(CO)cc1=O.
What is the InChIKey of 2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one?
The InChIKey is ACHLZZQNPBIDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-13-8-14(10-5-3-2-4-6-10)11(9-15)7-12(13)16/h2-8,15H,9H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one?
2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one has a molecular weight of 231.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methoxy-1-phenylpyridin-4-one is sourced from PubChem (CID 23278749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).