1-(5-phenyl-2-pyridinyl)ethanone

C13H11NO — CID 12054301

IUPAC1-(5-phenyl-2-pyridinyl)ethanone
SMILESCC(=O)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C13H11NO/c1-10(15)13-8-7-12(9-14-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyLRAHSIJOXHGDRW-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.95
Rot. Bonds2

About 1-(5-phenyl-2-pyridinyl)ethanone

1-(5-phenyl-2-pyridinyl)ethanone (PubChem CID 12054301) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(5-phenyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-phenyl-2-pyridinyl)ethanone
PubChem CID12054301
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name1-(5-phenyl-2-pyridinyl)ethanone
SMILESCC(=O)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C13H11NO/c1-10(15)13-8-7-12(9-14-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyLRAHSIJOXHGDRW-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-phenyl-2-pyridinyl)ethanone (CID 12054301) is 1-(5-phenyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-phenyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-phenyl-2-pyridinyl)ethanone is CC(=O)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 1-(5-phenyl-2-pyridinyl)ethanone?
The InChIKey is LRAHSIJOXHGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-10(15)13-8-7-12(9-14-13)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 1-(5-phenyl-2-pyridinyl)ethanone?
1-(5-phenyl-2-pyridinyl)ethanone has a molecular weight of 197.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-2-pyridinyl)ethanone is sourced from PubChem (CID 12054301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).