5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one

C17H14N2O2 — CID 58051492

IUPAC5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one
SMILESO=c1ccc(-c2ccc(CO)cc2)cn1-c1ccncc1
InChIInChI=1S/C17H14N2O2/c20-12-13-1-3-14(4-2-13)15-5-6-17(21)19(11-15)16-7-9-18-10-8-16/h1-11,20H,12H2
InChIKeyMQWZLCTVPYWMNU-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.39
Rot. Bonds3

About 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one

5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one (PubChem CID 58051492) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one
PubChem CID58051492
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one
SMILESO=c1ccc(-c2ccc(CO)cc2)cn1-c1ccncc1
InChIInChI=1S/C17H14N2O2/c20-12-13-1-3-14(4-2-13)15-5-6-17(21)19(11-15)16-7-9-18-10-8-16/h1-11,20H,12H2
InChIKeyMQWZLCTVPYWMNU-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one?
The IUPAC name of 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one (CID 58051492) is 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one is O=c1ccc(-c2ccc(CO)cc2)cn1-c1ccncc1.
What is the InChIKey of 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one?
The InChIKey is MQWZLCTVPYWMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-12-13-1-3-14(4-2-13)15-5-6-17(21)19(11-15)16-7-9-18-10-8-16/h1-11,20H,12H2.
What are the key properties of 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one?
5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)phenyl]-1-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 58051492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).