3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine

C13H9ClF3NO3S — CID 1473931

IUPAC3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3NO3S/c1-22(19,20)11-5-3-2-4-10(11)21-12-9(14)6-8(7-18-12)13(15,16)17/h2-7H,1H3
InChIKeyNVLYJABNJHEBDL-UHFFFAOYSA-N
MW351.73 g/mol
LogP3.95
Rot. Bonds3

About 3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 1473931) has the molecular formula C13H9ClF3NO3S and a molecular weight of 351.73 g/mol. Its IUPAC name is 3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID1473931
Molecular FormulaC13H9ClF3NO3S
Molecular Weight351.73 g/mol
Exact Mass350.99
IUPAC Name3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3NO3S/c1-22(19,20)11-5-3-2-4-10(11)21-12-9(14)6-8(7-18-12)13(15,16)17/h2-7H,1H3
InChIKeyNVLYJABNJHEBDL-UHFFFAOYSA-N
XLogP3.95
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.73
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine (CID 1473931) is 3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine is CS(=O)(=O)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is NVLYJABNJHEBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO3S/c1-22(19,20)11-5-3-2-4-10(11)21-12-9(14)6-8(7-18-12)13(15,16)17/h2-7H,1H3.
What are the key properties of 3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine?
3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 351.73 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-methylsulfonylphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1473931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).