3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine

C9H12FNO2S — CID 58333433

IUPAC3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine
SMILESCC(C)c1ncc(S(C)(=O)=O)cc1F
InChIInChI=1S/C9H12FNO2S/c1-6(2)9-8(10)4-7(5-11-9)14(3,12)13/h4-6H,1-3H3
InChIKeyUZNZAEXGEQWRAM-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.75
Rot. Bonds2

About 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine

3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine (PubChem CID 58333433) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine
PubChem CID58333433
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine
SMILESCC(C)c1ncc(S(C)(=O)=O)cc1F
InChIInChI=1S/C9H12FNO2S/c1-6(2)9-8(10)4-7(5-11-9)14(3,12)13/h4-6H,1-3H3
InChIKeyUZNZAEXGEQWRAM-UHFFFAOYSA-N
XLogP1.75
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine 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 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine?
The IUPAC name of 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine (CID 58333433) is 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine.
What is the SMILES notation for 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine?
The canonical SMILES for 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine is CC(C)c1ncc(S(C)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine?
The InChIKey is UZNZAEXGEQWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-6(2)9-8(10)4-7(5-11-9)14(3,12)13/h4-6H,1-3H3.
What are the key properties of 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine?
3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine has a molecular weight of 217.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine is sourced from PubChem (CID 58333433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).