1-phenyl-5-pyridin-3-ylpyridin-2-one

C16H12N2O — CID 58016476

IUPAC1-phenyl-5-pyridin-3-ylpyridin-2-one
SMILESO=c1ccc(-c2cccnc2)cn1-c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16-9-8-14(13-5-4-10-17-11-13)12-18(16)15-6-2-1-3-7-15/h1-12H
InChIKeyHEOSIUZNFCYUDL-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.90
Rot. Bonds2

About 1-phenyl-5-pyridin-3-ylpyridin-2-one

1-phenyl-5-pyridin-3-ylpyridin-2-one (PubChem CID 58016476) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-phenyl-5-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name1-phenyl-5-pyridin-3-ylpyridin-2-one
PubChem CID58016476
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1-phenyl-5-pyridin-3-ylpyridin-2-one
SMILESO=c1ccc(-c2cccnc2)cn1-c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16-9-8-14(13-5-4-10-17-11-13)12-18(16)15-6-2-1-3-7-15/h1-12H
InChIKeyHEOSIUZNFCYUDL-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-pyridin-3-ylpyridin-2-one?
The IUPAC name of 1-phenyl-5-pyridin-3-ylpyridin-2-one (CID 58016476) is 1-phenyl-5-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 1-phenyl-5-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 1-phenyl-5-pyridin-3-ylpyridin-2-one is O=c1ccc(-c2cccnc2)cn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-pyridin-3-ylpyridin-2-one?
The InChIKey is HEOSIUZNFCYUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16-9-8-14(13-5-4-10-17-11-13)12-18(16)15-6-2-1-3-7-15/h1-12H.
What are the key properties of 1-phenyl-5-pyridin-3-ylpyridin-2-one?
1-phenyl-5-pyridin-3-ylpyridin-2-one has a molecular weight of 248.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 58016476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).