2-(1-fluoro-2-methylpropyl)sulfonylpyridine

C9H12FNO2S — CID 141385897

IUPAC2-(1-fluoro-2-methylpropyl)sulfonylpyridine
SMILESCC(C)C(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C9H12FNO2S/c1-7(2)9(10)14(12,13)8-5-3-4-6-11-8/h3-7,9H,1-2H3
InChIKeyUMLHXBXYFGNSOK-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.81
Rot. Bonds3

About 2-(1-fluoro-2-methylpropyl)sulfonylpyridine

2-(1-fluoro-2-methylpropyl)sulfonylpyridine (PubChem CID 141385897) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(1-fluoro-2-methylpropyl)sulfonylpyridine.

Molecular Properties

Compound Name2-(1-fluoro-2-methylpropyl)sulfonylpyridine
PubChem CID141385897
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name2-(1-fluoro-2-methylpropyl)sulfonylpyridine
SMILESCC(C)C(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C9H12FNO2S/c1-7(2)9(10)14(12,13)8-5-3-4-6-11-8/h3-7,9H,1-2H3
InChIKeyUMLHXBXYFGNSOK-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine
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2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine
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2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine
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2-(tribromomethylsulfonyl)pyridine
CID 159318212
2-phenyl-2-pyridin-2-ylsulfonylacetonitrile
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CID 175476137
barium(2+);bis(pyridine-2-sulfonate)
CID 154925532
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-methylpropyl)sulfonylpyridine?
The IUPAC name of 2-(1-fluoro-2-methylpropyl)sulfonylpyridine (CID 141385897) is 2-(1-fluoro-2-methylpropyl)sulfonylpyridine.
What is the SMILES notation for 2-(1-fluoro-2-methylpropyl)sulfonylpyridine?
The canonical SMILES for 2-(1-fluoro-2-methylpropyl)sulfonylpyridine is CC(C)C(F)S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-(1-fluoro-2-methylpropyl)sulfonylpyridine?
The InChIKey is UMLHXBXYFGNSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-7(2)9(10)14(12,13)8-5-3-4-6-11-8/h3-7,9H,1-2H3.
What are the key properties of 2-(1-fluoro-2-methylpropyl)sulfonylpyridine?
2-(1-fluoro-2-methylpropyl)sulfonylpyridine has a molecular weight of 217.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-methylpropyl)sulfonylpyridine is sourced from PubChem (CID 141385897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).