4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine

C15H14F3NO3S — CID 1475676

IUPAC4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCc1cc(C)c(S(C)(=O)=O)c(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H14F3NO3S/c1-9-7-10(2)19-14(13(9)23(3,20)21)22-12-6-4-5-11(8-12)15(16,17)18/h4-8H,1-3H3
InChIKeyLTGVWPGPYMZUOI-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.91
Rot. Bonds3

About 4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine

4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 1475676) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is 4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine
PubChem CID1475676
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCc1cc(C)c(S(C)(=O)=O)c(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H14F3NO3S/c1-9-7-10(2)19-14(13(9)23(3,20)21)22-12-6-4-5-11(8-12)15(16,17)18/h4-8H,1-3H3
InChIKeyLTGVWPGPYMZUOI-UHFFFAOYSA-N
XLogP3.91
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine (CID 1475676) is 4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine is Cc1cc(C)c(S(C)(=O)=O)c(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is LTGVWPGPYMZUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-9-7-10(2)19-14(13(9)23(3,20)21)22-12-6-4-5-11(8-12)15(16,17)18/h4-8H,1-3H3.
What are the key properties of 4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine?
4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 345.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-methylsulfonyl-2-[3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 1475676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).