6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile

C14H19F3N2OSi — CID 131748119

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(F)(F)F)c(C#N)n1
InChIInChI=1S/C14H19F3N2OSi/c1-13(2,3)21(4,5)20-9-10-6-7-11(14(15,16)17)12(8-18)19-10/h6-7H,9H2,1-5H3
InChIKeyWEXNPWFDXKQLOH-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.49
Rot. Bonds3

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 131748119) has the molecular formula C14H19F3N2OSi and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID131748119
Molecular FormulaC14H19F3N2OSi
Molecular Weight316.40 g/mol
Exact Mass316.12
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(F)(F)F)c(C#N)n1
InChIInChI=1S/C14H19F3N2OSi/c1-13(2,3)21(4,5)20-9-10-6-7-11(14(15,16)17)12(8-18)19-10/h6-7H,9H2,1-5H3
InChIKeyWEXNPWFDXKQLOH-UHFFFAOYSA-N
XLogP4.49
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 131748119) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile is CC(C)(C)[Si](C)(C)OCc1ccc(C(F)(F)F)c(C#N)n1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is WEXNPWFDXKQLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OSi/c1-13(2,3)21(4,5)20-9-10-6-7-11(14(15,16)17)12(8-18)19-10/h6-7H,9H2,1-5H3.
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 316.40 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 131748119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).