3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine

C18H13F3N2O2S — CID 10199643

IUPAC3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2-c2cccnc2)cc1
InChIInChI=1S/C18H13F3N2O2S/c1-26(24,25)15-6-4-12(5-7-15)16-9-14(18(19,20)21)11-23-17(16)13-3-2-8-22-10-13/h2-11H,1H3
InChIKeyDBYDCJSATBOJOK-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.23
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine

3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine (PubChem CID 10199643) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine
PubChem CID10199643
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC Name3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2-c2cccnc2)cc1
InChIInChI=1S/C18H13F3N2O2S/c1-26(24,25)15-6-4-12(5-7-15)16-9-14(18(19,20)21)11-23-17(16)13-3-2-8-22-10-13/h2-11H,1H3
InChIKeyDBYDCJSATBOJOK-UHFFFAOYSA-N
XLogP4.23
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine (CID 10199643) is 3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine is CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2-c2cccnc2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine?
The InChIKey is DBYDCJSATBOJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c1-26(24,25)15-6-4-12(5-7-15)16-9-14(18(19,20)21)11-23-17(16)13-3-2-8-22-10-13/h2-11H,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine?
3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine has a molecular weight of 378.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 10199643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).