1-(3-pyridin-4-ylphenyl)ethanone

C13H11NO — CID 11321536

IUPAC1-(3-pyridin-4-ylphenyl)ethanone
SMILESCC(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C13H11NO/c1-10(15)12-3-2-4-13(9-12)11-5-7-14-8-6-11/h2-9H,1H3
InChIKeyZLJWVMPGPJLLBA-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.95
Rot. Bonds2

About 1-(3-pyridin-4-ylphenyl)ethanone

1-(3-pyridin-4-ylphenyl)ethanone (PubChem CID 11321536) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(3-pyridin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-pyridin-4-ylphenyl)ethanone
PubChem CID11321536
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name1-(3-pyridin-4-ylphenyl)ethanone
SMILESCC(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C13H11NO/c1-10(15)12-3-2-4-13(9-12)11-5-7-14-8-6-11/h2-9H,1H3
InChIKeyZLJWVMPGPJLLBA-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-(3-pyridin-4-ylphenyl)ethanone?
The IUPAC name of 1-(3-pyridin-4-ylphenyl)ethanone (CID 11321536) is 1-(3-pyridin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-pyridin-4-ylphenyl)ethanone?
The canonical SMILES for 1-(3-pyridin-4-ylphenyl)ethanone is CC(=O)c1cccc(-c2ccncc2)c1.
What is the InChIKey of 1-(3-pyridin-4-ylphenyl)ethanone?
The InChIKey is ZLJWVMPGPJLLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-10(15)12-3-2-4-13(9-12)11-5-7-14-8-6-11/h2-9H,1H3.
What are the key properties of 1-(3-pyridin-4-ylphenyl)ethanone?
1-(3-pyridin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)ethanone is sourced from PubChem (CID 11321536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).