[4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate

C11H16F3NO3SSi — CID 134968761

IUPAC[4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate
SMILESCc1cc(OS(=O)(=O)C(F)(F)F)ncc1C[Si](C)(C)C
InChIInChI=1S/C11H16F3NO3SSi/c1-8-5-10(18-19(16,17)11(12,13)14)15-6-9(8)7-20(2,3)4/h5-6H,7H2,1-4H3
InChIKeyGOXOJLZQMZCGJR-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.04
Rot. Bonds4

About [4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate

[4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate (PubChem CID 134968761) has the molecular formula C11H16F3NO3SSi and a molecular weight of 327.40 g/mol. Its IUPAC name is [4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate
PubChem CID134968761
Molecular FormulaC11H16F3NO3SSi
Molecular Weight327.40 g/mol
Exact Mass327.06
IUPAC Name[4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate
SMILESCc1cc(OS(=O)(=O)C(F)(F)F)ncc1C[Si](C)(C)C
InChIInChI=1S/C11H16F3NO3SSi/c1-8-5-10(18-19(16,17)11(12,13)14)15-6-9(8)7-20(2,3)4/h5-6H,7H2,1-4H3
InChIKeyGOXOJLZQMZCGJR-UHFFFAOYSA-N
XLogP3.04
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.04
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'}

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate?
The IUPAC name of [4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate (CID 134968761) is [4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate.
What is the SMILES notation for [4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate?
The canonical SMILES for [4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate is Cc1cc(OS(=O)(=O)C(F)(F)F)ncc1C[Si](C)(C)C.
What is the InChIKey of [4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate?
The InChIKey is GOXOJLZQMZCGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3SSi/c1-8-5-10(18-19(16,17)11(12,13)14)15-6-9(8)7-20(2,3)4/h5-6H,7H2,1-4H3.
What are the key properties of [4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate?
[4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate has a molecular weight of 327.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(trimethylsilylmethyl)-2-pyridinyl] trifluoromethanesulfonate is sourced from PubChem (CID 134968761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).