(3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate

C9H12F3NO3SSi — CID 15062470

IUPAC(3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1cccnc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO3SSi/c1-18(2,3)7-5-4-6-13-8(7)16-17(14,15)9(10,11)12/h4-6H,1-3H3
InChIKeySXIBFUWSBRRXRJ-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.86
Rot. Bonds3

About (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate

(3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate (PubChem CID 15062470) has the molecular formula C9H12F3NO3SSi and a molecular weight of 299.35 g/mol. Its IUPAC name is (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate
PubChem CID15062470
Molecular FormulaC9H12F3NO3SSi
Molecular Weight299.35 g/mol
Exact Mass299.03
IUPAC Name(3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1cccnc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO3SSi/c1-18(2,3)7-5-4-6-13-8(7)16-17(14,15)9(10,11)12/h4-6H,1-3H3
InChIKeySXIBFUWSBRRXRJ-UHFFFAOYSA-N
XLogP1.86
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate?
The IUPAC name of (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate (CID 15062470) is (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate.
What is the SMILES notation for (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate?
The canonical SMILES for (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate is C[Si](C)(C)c1cccnc1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate?
The InChIKey is SXIBFUWSBRRXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3SSi/c1-18(2,3)7-5-4-6-13-8(7)16-17(14,15)9(10,11)12/h4-6H,1-3H3.
What are the key properties of (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate?
(3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate has a molecular weight of 299.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-trimethylsilyl-2-pyridinyl) trifluoromethanesulfonate is sourced from PubChem (CID 15062470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).