1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one

C16H12N2O2 — CID 71461179

IUPAC1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one
SMILESO=c1cc(-c2cccnc2)cc(-c2ccccc2)n1O
InChIInChI=1S/C16H12N2O2/c19-16-10-14(13-7-4-8-17-11-13)9-15(18(16)20)12-5-2-1-3-6-12/h1-11,20H
InChIKeyROTHRBCMRKGDQE-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.81
Rot. Bonds2

About 1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one

1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one (PubChem CID 71461179) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one
PubChem CID71461179
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one
SMILESO=c1cc(-c2cccnc2)cc(-c2ccccc2)n1O
InChIInChI=1S/C16H12N2O2/c19-16-10-14(13-7-4-8-17-11-13)9-15(18(16)20)12-5-2-1-3-6-12/h1-11,20H
InChIKeyROTHRBCMRKGDQE-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one?
The IUPAC name of 1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one (CID 71461179) is 1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one is O=c1cc(-c2cccnc2)cc(-c2ccccc2)n1O.
What is the InChIKey of 1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one?
The InChIKey is ROTHRBCMRKGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16-10-14(13-7-4-8-17-11-13)9-15(18(16)20)12-5-2-1-3-6-12/h1-11,20H.
What are the key properties of 1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one?
1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one has a molecular weight of 264.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-phenyl-4-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 71461179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).