3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one

C13H13NO2 — CID 176681559

IUPAC3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2ccc(CO)c(=O)[nH]2)c1
InChIInChI=1S/C13H13NO2/c1-9-3-2-4-10(7-9)12-6-5-11(8-15)13(16)14-12/h2-7,15H,8H2,1H3,(H,14,16)
InChIKeyCKIKXQMPSALOOX-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.84
Rot. Bonds2

About 3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one

3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one (PubChem CID 176681559) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one
PubChem CID176681559
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2ccc(CO)c(=O)[nH]2)c1
InChIInChI=1S/C13H13NO2/c1-9-3-2-4-10(7-9)12-6-5-11(8-15)13(16)14-12/h2-7,15H,8H2,1H3,(H,14,16)
InChIKeyCKIKXQMPSALOOX-UHFFFAOYSA-N
XLogP1.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-6-(3-methylphenyl)-1H-pyridin-2-one
CID 176681864
3-(hydroxymethyl)-6-phenyl-1H-pyridin-2-one
CID 82521366
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 82518431
3-(hydroxymethyl)-6-(3-nitrophenyl)-1H-pyridin-2-one
CID 82517149
3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520486
3-(chloromethyl)-6-[3-(methylamino)phenyl]-1H-pyridin-2-one
CID 21404529
ethane;3-ethyl-6-phenyl-1H-pyridin-2-one
CID 145103811
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55759840
3-(chloromethyl)-6-(3,4-dimethylphenyl)-1H-pyridin-2-one
CID 82520164
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
CID 55850238

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one (CID 176681559) is 3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one is Cc1cccc(-c2ccc(CO)c(=O)[nH]2)c1.
What is the InChIKey of 3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one?
The InChIKey is CKIKXQMPSALOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-3-2-4-10(7-9)12-6-5-11(8-15)13(16)14-12/h2-7,15H,8H2,1H3,(H,14,16).
What are the key properties of 3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one?
3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 176681559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).