2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine

C13H10F3NS — CID 46187911

IUPAC2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine
SMILESCSc1cc(C(F)(F)F)ccc1-c1ccccn1
InChIInChI=1S/C13H10F3NS/c1-18-12-8-9(13(14,15)16)5-6-10(12)11-4-2-3-7-17-11/h2-8H,1H3
InChIKeyNKYWPZQEAMSOHY-UHFFFAOYSA-N
MW269.29 g/mol
LogP4.49
Rot. Bonds2

About 2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine

2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 46187911) has the molecular formula C13H10F3NS and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine
PubChem CID46187911
Molecular FormulaC13H10F3NS
Molecular Weight269.29 g/mol
Exact Mass269.05
IUPAC Name2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine
SMILESCSc1cc(C(F)(F)F)ccc1-c1ccccn1
InChIInChI=1S/C13H10F3NS/c1-18-12-8-9(13(14,15)16)5-6-10(12)11-4-2-3-7-17-11/h2-8H,1H3
InChIKeyNKYWPZQEAMSOHY-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine (CID 46187911) is 2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine is CSc1cc(C(F)(F)F)ccc1-c1ccccn1.
What is the InChIKey of 2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is NKYWPZQEAMSOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NS/c1-18-12-8-9(13(14,15)16)5-6-10(12)11-4-2-3-7-17-11/h2-8H,1H3.
What are the key properties of 2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine?
2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 269.29 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 46187911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).