2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine

C7H5F4NS — CID 171367185

IUPAC2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine
SMILESCSc1ccc(C(F)(F)F)nc1F
InChIInChI=1S/C7H5F4NS/c1-13-4-2-3-5(7(9,10)11)12-6(4)8/h2-3H,1H3
InChIKeyNQNTVHJTUPLWLA-UHFFFAOYSA-N
MW211.18 g/mol
LogP2.96
Rot. Bonds1

About 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine

2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine (PubChem CID 171367185) has the molecular formula C7H5F4NS and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine
PubChem CID171367185
Molecular FormulaC7H5F4NS
Molecular Weight211.18 g/mol
Exact Mass211.01
IUPAC Name2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine
SMILESCSc1ccc(C(F)(F)F)nc1F
InChIInChI=1S/C7H5F4NS/c1-13-4-2-3-5(7(9,10)11)12-6(4)8/h2-3H,1H3
InChIKeyNQNTVHJTUPLWLA-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine (CID 171367185) is 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine is CSc1ccc(C(F)(F)F)nc1F.
What is the InChIKey of 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine?
The InChIKey is NQNTVHJTUPLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NS/c1-13-4-2-3-5(7(9,10)11)12-6(4)8/h2-3H,1H3.
What are the key properties of 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine?
2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine has a molecular weight of 211.18 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 171367185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).