3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine

C13H12FNO2S — CID 90162747

IUPAC3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine
SMILESCc1ncccc1-c1ccc(F)c(S(C)(=O)=O)c1
InChIInChI=1S/C13H12FNO2S/c1-9-11(4-3-7-15-9)10-5-6-12(14)13(8-10)18(2,16)17/h3-8H,1-2H3
InChIKeyWGJWULFXRWMLRP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.60
Rot. Bonds2

About 3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine

3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine (PubChem CID 90162747) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine
PubChem CID90162747
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine
SMILESCc1ncccc1-c1ccc(F)c(S(C)(=O)=O)c1
InChIInChI=1S/C13H12FNO2S/c1-9-11(4-3-7-15-9)10-5-6-12(14)13(8-10)18(2,16)17/h3-8H,1-2H3
InChIKeyWGJWULFXRWMLRP-UHFFFAOYSA-N
XLogP2.60
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine?
The IUPAC name of 3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine (CID 90162747) is 3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine.
What is the SMILES notation for 3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine?
The canonical SMILES for 3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine is Cc1ncccc1-c1ccc(F)c(S(C)(=O)=O)c1.
What is the InChIKey of 3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine?
The InChIKey is WGJWULFXRWMLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-9-11(4-3-7-15-9)10-5-6-12(14)13(8-10)18(2,16)17/h3-8H,1-2H3.
What are the key properties of 3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine?
3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine has a molecular weight of 265.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine is sourced from PubChem (CID 90162747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).