2-phenyl-1H-pyridin-4-one

C11H9NO — CID 598779

IUPAC2-phenyl-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccccc2)c1
InChIInChI=1S/C11H9NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,12,13)
InChIKeyHMNHOVLVFACRNY-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.04
Rot. Bonds1

About 2-phenyl-1H-pyridin-4-one

2-phenyl-1H-pyridin-4-one (PubChem CID 598779) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-phenyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-phenyl-1H-pyridin-4-one
PubChem CID598779
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name2-phenyl-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccccc2)c1
InChIInChI=1S/C11H9NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,12,13)
InChIKeyHMNHOVLVFACRNY-UHFFFAOYSA-N
XLogP2.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-pyridin-4-one?
The IUPAC name of 2-phenyl-1H-pyridin-4-one (CID 598779) is 2-phenyl-1H-pyridin-4-one.
What is the SMILES notation for 2-phenyl-1H-pyridin-4-one?
The canonical SMILES for 2-phenyl-1H-pyridin-4-one is O=c1cc[nH]c(-c2ccccc2)c1.
What is the InChIKey of 2-phenyl-1H-pyridin-4-one?
The InChIKey is HMNHOVLVFACRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,12,13).
What are the key properties of 2-phenyl-1H-pyridin-4-one?
2-phenyl-1H-pyridin-4-one has a molecular weight of 171.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-pyridin-4-one is sourced from PubChem (CID 598779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).