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

C9H12FNO2S — CID 176650948

IUPAC3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine
SMILESCC(C)c1cnc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C9H12FNO2S/c1-6(2)7-4-8(10)9(11-5-7)14(3,12)13/h4-6H,1-3H3
InChIKeyQRJOAVUZMIQZBA-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.75
Rot. Bonds2

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

3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine (PubChem CID 176650948) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine
PubChem CID176650948
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine
SMILESCC(C)c1cnc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C9H12FNO2S/c1-6(2)7-4-8(10)9(11-5-7)14(3,12)13/h4-6H,1-3H3
InChIKeyQRJOAVUZMIQZBA-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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine?
The IUPAC name of 3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine (CID 176650948) is 3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine.
What is the SMILES notation for 3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine?
The canonical SMILES for 3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine is CC(C)c1cnc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine?
The InChIKey is QRJOAVUZMIQZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-6(2)7-4-8(10)9(11-5-7)14(3,12)13/h4-6H,1-3H3.
What are the key properties of 3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine?
3-fluoro-2-methylsulfonyl-5-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-2-methylsulfonyl-5-propan-2-ylpyridine is sourced from PubChem (CID 176650948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).