5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile

C14H22N2O2Si — CID 174070466

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCCOc1cncc(C#N)c1
InChIInChI=1S/C14H22N2O2Si/c1-14(2,3)19(4,5)18-7-6-17-13-8-12(9-15)10-16-11-13/h8,10-11H,6-7H2,1-5H3
InChIKeyLYIYOQGLOPSXLC-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.35
Rot. Bonds5

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile

5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile (PubChem CID 174070466) has the molecular formula C14H22N2O2Si and a molecular weight of 278.43 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile
PubChem CID174070466
Molecular FormulaC14H22N2O2Si
Molecular Weight278.43 g/mol
Exact Mass278.15
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCCOc1cncc(C#N)c1
InChIInChI=1S/C14H22N2O2Si/c1-14(2,3)19(4,5)18-7-6-17-13-8-12(9-15)10-16-11-13/h8,10-11H,6-7H2,1-5H3
InChIKeyLYIYOQGLOPSXLC-UHFFFAOYSA-N
XLogP3.35
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile (CID 174070466) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile is CC(C)(C)[Si](C)(C)OCCOc1cncc(C#N)c1.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile?
The InChIKey is LYIYOQGLOPSXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2Si/c1-14(2,3)19(4,5)18-7-6-17-13-8-12(9-15)10-16-11-13/h8,10-11H,6-7H2,1-5H3.
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile?
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile has a molecular weight of 278.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 174070466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).