2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine

C19H15F3N2O3S — CID 10341395

IUPAC2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(OCc3ccccn3)n2)cc1
InChIInChI=1S/C19H15F3N2O3S/c1-28(25,26)16-7-5-13(6-8-16)17-10-14(19(20,21)22)11-18(24-17)27-12-15-4-2-3-9-23-15/h2-11H,12H2,1H3
InChIKeyKJROYZQXANQCCB-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.14
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine

2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 10341395) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine
PubChem CID10341395
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(OCc3ccccn3)n2)cc1
InChIInChI=1S/C19H15F3N2O3S/c1-28(25,26)16-7-5-13(6-8-16)17-10-14(19(20,21)22)11-18(24-17)27-12-15-4-2-3-9-23-15/h2-11H,12H2,1H3
InChIKeyKJROYZQXANQCCB-UHFFFAOYSA-N
XLogP4.14
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine (CID 10341395) is 2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine is CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(OCc3ccccn3)n2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is KJROYZQXANQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-28(25,26)16-7-5-13(6-8-16)17-10-14(19(20,21)22)11-18(24-17)27-12-15-4-2-3-9-23-15/h2-11H,12H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 408.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 10341395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).