1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone

C8H8FNOS — CID 131984716

IUPAC1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone
SMILESCSc1ccc(C(C)=O)c(F)n1
InChIInChI=1S/C8H8FNOS/c1-5(11)6-3-4-7(12-2)10-8(6)9/h3-4H,1-2H3
InChIKeyUVKWIGPBQAMLNG-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.15
Rot. Bonds2

About 1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone

1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone (PubChem CID 131984716) has the molecular formula C8H8FNOS and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone
PubChem CID131984716
Molecular FormulaC8H8FNOS
Molecular Weight185.22 g/mol
Exact Mass185.03
IUPAC Name1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone
SMILESCSc1ccc(C(C)=O)c(F)n1
InChIInChI=1S/C8H8FNOS/c1-5(11)6-3-4-7(12-2)10-8(6)9/h3-4H,1-2H3
InChIKeyUVKWIGPBQAMLNG-UHFFFAOYSA-N
XLogP2.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-fluoro-6-methylsulfanyl-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-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone (CID 131984716) is 1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone is CSc1ccc(C(C)=O)c(F)n1.
What is the InChIKey of 1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone?
The InChIKey is UVKWIGPBQAMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNOS/c1-5(11)6-3-4-7(12-2)10-8(6)9/h3-4H,1-2H3.
What are the key properties of 1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone?
1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone has a molecular weight of 185.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methylsulfanyl-3-pyridinyl)ethanone is sourced from PubChem (CID 131984716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).