6-ethylsulfonyl-3-fluoro-2-methylpyridine

C8H10FNO2S — CID 90328898

IUPAC6-ethylsulfonyl-3-fluoro-2-methylpyridine
SMILESCCS(=O)(=O)c1ccc(F)c(C)n1
InChIInChI=1S/C8H10FNO2S/c1-3-13(11,12)8-5-4-7(9)6(2)10-8/h4-5H,3H2,1-2H3
InChIKeyANVSXWAOJFXTBD-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.32
Rot. Bonds2

About 6-ethylsulfonyl-3-fluoro-2-methylpyridine

6-ethylsulfonyl-3-fluoro-2-methylpyridine (PubChem CID 90328898) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-ethylsulfonyl-3-fluoro-2-methylpyridine.

Molecular Properties

Compound Name6-ethylsulfonyl-3-fluoro-2-methylpyridine
PubChem CID90328898
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name6-ethylsulfonyl-3-fluoro-2-methylpyridine
SMILESCCS(=O)(=O)c1ccc(F)c(C)n1
InChIInChI=1S/C8H10FNO2S/c1-3-13(11,12)8-5-4-7(9)6(2)10-8/h4-5H,3H2,1-2H3
InChIKeyANVSXWAOJFXTBD-UHFFFAOYSA-N
XLogP1.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-3-fluoro-2-methylpyridine?
The IUPAC name of 6-ethylsulfonyl-3-fluoro-2-methylpyridine (CID 90328898) is 6-ethylsulfonyl-3-fluoro-2-methylpyridine.
What is the SMILES notation for 6-ethylsulfonyl-3-fluoro-2-methylpyridine?
The canonical SMILES for 6-ethylsulfonyl-3-fluoro-2-methylpyridine is CCS(=O)(=O)c1ccc(F)c(C)n1.
What is the InChIKey of 6-ethylsulfonyl-3-fluoro-2-methylpyridine?
The InChIKey is ANVSXWAOJFXTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-3-13(11,12)8-5-4-7(9)6(2)10-8/h4-5H,3H2,1-2H3.
What are the key properties of 6-ethylsulfonyl-3-fluoro-2-methylpyridine?
6-ethylsulfonyl-3-fluoro-2-methylpyridine has a molecular weight of 203.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-3-fluoro-2-methylpyridine is sourced from PubChem (CID 90328898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).