1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone

C13H10FNO — CID 59872501

IUPAC1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cnccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO/c1-9(16)13-8-15-7-6-12(13)10-2-4-11(14)5-3-10/h2-8H,1H3
InChIKeyWEUHCSRUKOQPKT-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.09
Rot. Bonds2

About 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone

1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone (PubChem CID 59872501) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone
PubChem CID59872501
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cnccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO/c1-9(16)13-8-15-7-6-12(13)10-2-4-11(14)5-3-10/h2-8H,1H3
InChIKeyWEUHCSRUKOQPKT-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone (CID 59872501) is 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone is CC(=O)c1cnccc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone?
The InChIKey is WEUHCSRUKOQPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c1-9(16)13-8-15-7-6-12(13)10-2-4-11(14)5-3-10/h2-8H,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone?
1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone has a molecular weight of 215.23 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 59872501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).