3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine

C8H8F3NO3S — CID 162401320

IUPAC3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine
SMILESCS(=O)(=O)c1cncc(OCC(F)(F)F)c1
InChIInChI=1S/C8H8F3NO3S/c1-16(13,14)7-2-6(3-12-4-7)15-5-8(9,10)11/h2-4H,5H2,1H3
InChIKeyMWORJDVUZOTNDD-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.43
Rot. Bonds3

About 3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine

3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 162401320) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is 3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine
PubChem CID162401320
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine
SMILESCS(=O)(=O)c1cncc(OCC(F)(F)F)c1
InChIInChI=1S/C8H8F3NO3S/c1-16(13,14)7-2-6(3-12-4-7)15-5-8(9,10)11/h2-4H,5H2,1H3
InChIKeyMWORJDVUZOTNDD-UHFFFAOYSA-N
XLogP1.43
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2,2-Trifluoroethoxy)-2-pyridinesulfonamide
CID 11054990
2-Propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine
CID 12992128
Sodium {[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonyl}azanide
CID 23716494
5-Methoxypyridine-3-sulfonyl chloride
CID 55280522
5-Methoxypyridine-3-sulfonamide
CID 81894571
3-Ethoxypyridine-2-sulfonamide
CID 104063092
US20240400579, Example 210
CID 168907520
2-Chloro-5-methoxypyridine-3-sulfonyl chloride
CID 55279372
2-Fluoro-5-methoxypyridine-4-sulfonyl chloride
CID 55280578
5-(Propan-2-yloxy)pyridine-3-sulfonyl chloride
CID 81894962
5,6-Dimethoxypyridine-3-sulfonyl chloride
CID 117273803
3-Ethoxypyridine-2-sulfonyl fluoride
CID 137944399

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine (CID 162401320) is 3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine is CS(=O)(=O)c1cncc(OCC(F)(F)F)c1.
What is the InChIKey of 3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is MWORJDVUZOTNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c1-16(13,14)7-2-6(3-12-4-7)15-5-8(9,10)11/h2-4H,5H2,1H3.
What are the key properties of 3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine?
3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 255.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 162401320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).