3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile

C16H18N2Si — CID 122208069

IUPAC3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile
SMILESC[Si](C)(C)c1cnccc1Cc1cccc(C#N)c1
InChIInChI=1S/C16H18N2Si/c1-19(2,3)16-12-18-8-7-15(16)10-13-5-4-6-14(9-13)11-17/h4-9,12H,10H2,1-3H3
InChIKeyGXGLKTJJEKJECO-UHFFFAOYSA-N
MW266.42 g/mol
LogP3.09
Rot. Bonds3

About 3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile

3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile (PubChem CID 122208069) has the molecular formula C16H18N2Si and a molecular weight of 266.42 g/mol. Its IUPAC name is 3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile
PubChem CID122208069
Molecular FormulaC16H18N2Si
Molecular Weight266.42 g/mol
Exact Mass266.12
IUPAC Name3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile
SMILESC[Si](C)(C)c1cnccc1Cc1cccc(C#N)c1
InChIInChI=1S/C16H18N2Si/c1-19(2,3)16-12-18-8-7-15(16)10-13-5-4-6-14(9-13)11-17/h4-9,12H,10H2,1-3H3
InChIKeyGXGLKTJJEKJECO-UHFFFAOYSA-N
XLogP3.09
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile?
The IUPAC name of 3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile (CID 122208069) is 3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile.
What is the SMILES notation for 3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile?
The canonical SMILES for 3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile is C[Si](C)(C)c1cnccc1Cc1cccc(C#N)c1.
What is the InChIKey of 3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile?
The InChIKey is GXGLKTJJEKJECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2Si/c1-19(2,3)16-12-18-8-7-15(16)10-13-5-4-6-14(9-13)11-17/h4-9,12H,10H2,1-3H3.
What are the key properties of 3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile?
3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile has a molecular weight of 266.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile is sourced from PubChem (CID 122208069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).