3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile

C13H20N2OSi — CID 45123455

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1cnccc1C#N
InChIInChI=1S/C13H20N2OSi/c1-13(2,3)17(4,5)16-10-12-9-15-7-6-11(12)8-14/h6-7,9H,10H2,1-5H3
InChIKeyOIRVLEZFCASPBU-UHFFFAOYSA-N
MW248.40 g/mol
LogP3.48
Rot. Bonds3

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile

3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile (PubChem CID 45123455) has the molecular formula C13H20N2OSi and a molecular weight of 248.40 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile
PubChem CID45123455
Molecular FormulaC13H20N2OSi
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1cnccc1C#N
InChIInChI=1S/C13H20N2OSi/c1-13(2,3)17(4,5)16-10-12-9-15-7-6-11(12)8-14/h6-7,9H,10H2,1-5H3
InChIKeyOIRVLEZFCASPBU-UHFFFAOYSA-N
XLogP3.48
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.48
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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile (CID 45123455) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile is CC(C)(C)[Si](C)(C)OCc1cnccc1C#N.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile?
The InChIKey is OIRVLEZFCASPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OSi/c1-13(2,3)17(4,5)16-10-12-9-15-7-6-11(12)8-14/h6-7,9H,10H2,1-5H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile has a molecular weight of 248.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile is sourced from PubChem (CID 45123455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).