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

C12H11NO2 — CID 18698767

IUPAC4-(hydroxymethyl)-1-phenylpyridin-2-one
SMILESO=c1cc(CO)ccn1-c1ccccc1
InChIInChI=1S/C12H11NO2/c14-9-10-6-7-13(12(15)8-10)11-4-2-1-3-5-11/h1-8,14H,9H2
InChIKeyJYEBTCYCAPEYPT-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.33
Rot. Bonds2

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

4-(hydroxymethyl)-1-phenylpyridin-2-one (PubChem CID 18698767) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-phenylpyridin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-phenylpyridin-2-one
PubChem CID18698767
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-(hydroxymethyl)-1-phenylpyridin-2-one
SMILESO=c1cc(CO)ccn1-c1ccccc1
InChIInChI=1S/C12H11NO2/c14-9-10-6-7-13(12(15)8-10)11-4-2-1-3-5-11/h1-8,14H,9H2
InChIKeyJYEBTCYCAPEYPT-UHFFFAOYSA-N
XLogP1.33
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-phenylpyridin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-phenylpyridin-2-one (CID 18698767) is 4-(hydroxymethyl)-1-phenylpyridin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-phenylpyridin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-phenylpyridin-2-one is O=c1cc(CO)ccn1-c1ccccc1.
What is the InChIKey of 4-(hydroxymethyl)-1-phenylpyridin-2-one?
The InChIKey is JYEBTCYCAPEYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-9-10-6-7-13(12(15)8-10)11-4-2-1-3-5-11/h1-8,14H,9H2.
What are the key properties of 4-(hydroxymethyl)-1-phenylpyridin-2-one?
4-(hydroxymethyl)-1-phenylpyridin-2-one has a molecular weight of 201.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-phenylpyridin-2-one is sourced from PubChem (CID 18698767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).