2-(trifluoromethylselanyl)pyridine

C6H4F3NSe — CID 13447120

IUPAC2-(trifluoromethylselanyl)pyridine
SMILESFC(F)(F)[Se]c1ccccn1
InChIInChI=1S/C6H4F3NSe/c7-6(8,9)11-5-3-1-2-4-10-5/h1-4H
InChIKeyQCHDTQMKCBLBBH-UHFFFAOYSA-N
MW226.06 g/mol
LogP0.93
Rot. Bonds1

About 2-(trifluoromethylselanyl)pyridine

2-(trifluoromethylselanyl)pyridine (PubChem CID 13447120) has the molecular formula C6H4F3NSe and a molecular weight of 226.06 g/mol. Its IUPAC name is 2-(trifluoromethylselanyl)pyridine.

Molecular Properties

Compound Name2-(trifluoromethylselanyl)pyridine
PubChem CID13447120
Molecular FormulaC6H4F3NSe
Molecular Weight226.06 g/mol
Exact Mass226.95
IUPAC Name2-(trifluoromethylselanyl)pyridine
SMILESFC(F)(F)[Se]c1ccccn1
InChIInChI=1S/C6H4F3NSe/c7-6(8,9)11-5-3-1-2-4-10-5/h1-4H
InChIKeyQCHDTQMKCBLBBH-UHFFFAOYSA-N
XLogP0.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylselanyl)pyridine?
The IUPAC name of 2-(trifluoromethylselanyl)pyridine (CID 13447120) is 2-(trifluoromethylselanyl)pyridine.
What is the SMILES notation for 2-(trifluoromethylselanyl)pyridine?
The canonical SMILES for 2-(trifluoromethylselanyl)pyridine is FC(F)(F)[Se]c1ccccn1.
What is the InChIKey of 2-(trifluoromethylselanyl)pyridine?
The InChIKey is QCHDTQMKCBLBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NSe/c7-6(8,9)11-5-3-1-2-4-10-5/h1-4H.
What are the key properties of 2-(trifluoromethylselanyl)pyridine?
2-(trifluoromethylselanyl)pyridine has a molecular weight of 226.06 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylselanyl)pyridine is sourced from PubChem (CID 13447120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).