4-(trifluoromethylsulfinyl)pyridine

C6H4F3NOS — CID 151307405

IUPAC4-(trifluoromethylsulfinyl)pyridine
SMILESO=S(c1ccncc1)C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)12(11)5-1-3-10-4-2-5/h1-4H
InChIKeyODRYTDQFZQOXDE-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.71
Rot. Bonds1

About 4-(trifluoromethylsulfinyl)pyridine

4-(trifluoromethylsulfinyl)pyridine (PubChem CID 151307405) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol. Its IUPAC name is 4-(trifluoromethylsulfinyl)pyridine.

Molecular Properties

Compound Name4-(trifluoromethylsulfinyl)pyridine
PubChem CID151307405
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Name4-(trifluoromethylsulfinyl)pyridine
SMILESO=S(c1ccncc1)C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)12(11)5-1-3-10-4-2-5/h1-4H
InChIKeyODRYTDQFZQOXDE-UHFFFAOYSA-N
XLogP1.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfinyl)pyridine?
The IUPAC name of 4-(trifluoromethylsulfinyl)pyridine (CID 151307405) is 4-(trifluoromethylsulfinyl)pyridine.
What is the SMILES notation for 4-(trifluoromethylsulfinyl)pyridine?
The canonical SMILES for 4-(trifluoromethylsulfinyl)pyridine is O=S(c1ccncc1)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethylsulfinyl)pyridine?
The InChIKey is ODRYTDQFZQOXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)12(11)5-1-3-10-4-2-5/h1-4H.
What are the key properties of 4-(trifluoromethylsulfinyl)pyridine?
4-(trifluoromethylsulfinyl)pyridine has a molecular weight of 195.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfinyl)pyridine is sourced from PubChem (CID 151307405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).