3-fluoro-2-methyl-6-propylsulfonylpyridine

C9H12FNO2S — CID 90136170

IUPAC3-fluoro-2-methyl-6-propylsulfonylpyridine
SMILESCCCS(=O)(=O)c1ccc(F)c(C)n1
InChIInChI=1S/C9H12FNO2S/c1-3-6-14(12,13)9-5-4-8(10)7(2)11-9/h4-5H,3,6H2,1-2H3
InChIKeySFJJRTCTWSXRBM-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.71
Rot. Bonds3

About 3-fluoro-2-methyl-6-propylsulfonylpyridine

3-fluoro-2-methyl-6-propylsulfonylpyridine (PubChem CID 90136170) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-fluoro-2-methyl-6-propylsulfonylpyridine.

Molecular Properties

Compound Name3-fluoro-2-methyl-6-propylsulfonylpyridine
PubChem CID90136170
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name3-fluoro-2-methyl-6-propylsulfonylpyridine
SMILESCCCS(=O)(=O)c1ccc(F)c(C)n1
InChIInChI=1S/C9H12FNO2S/c1-3-6-14(12,13)9-5-4-8(10)7(2)11-9/h4-5H,3,6H2,1-2H3
InChIKeySFJJRTCTWSXRBM-UHFFFAOYSA-N
XLogP1.71
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-6-propylsulfonylpyridine?
The IUPAC name of 3-fluoro-2-methyl-6-propylsulfonylpyridine (CID 90136170) is 3-fluoro-2-methyl-6-propylsulfonylpyridine.
What is the SMILES notation for 3-fluoro-2-methyl-6-propylsulfonylpyridine?
The canonical SMILES for 3-fluoro-2-methyl-6-propylsulfonylpyridine is CCCS(=O)(=O)c1ccc(F)c(C)n1.
What is the InChIKey of 3-fluoro-2-methyl-6-propylsulfonylpyridine?
The InChIKey is SFJJRTCTWSXRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-3-6-14(12,13)9-5-4-8(10)7(2)11-9/h4-5H,3,6H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-6-propylsulfonylpyridine?
3-fluoro-2-methyl-6-propylsulfonylpyridine has a molecular weight of 217.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-6-propylsulfonylpyridine is sourced from PubChem (CID 90136170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).