4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile

C20H26N2Si — CID 169039431

IUPAC4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile
SMILESCC(C)C(C)c1cc(-c2ccc(C#N)cc2)ncc1[Si](C)(C)C
InChIInChI=1S/C20H26N2Si/c1-14(2)15(3)18-11-19(22-13-20(18)23(4,5)6)17-9-7-16(12-21)8-10-17/h7-11,13-15H,1-6H3
InChIKeyNJFORKZHNHEULS-UHFFFAOYSA-N
MW322.53 g/mol
LogP4.92
Rot. Bonds4

About 4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile

4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile (PubChem CID 169039431) has the molecular formula C20H26N2Si and a molecular weight of 322.53 g/mol. Its IUPAC name is 4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile
PubChem CID169039431
Molecular FormulaC20H26N2Si
Molecular Weight322.53 g/mol
Exact Mass322.19
IUPAC Name4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile
SMILESCC(C)C(C)c1cc(-c2ccc(C#N)cc2)ncc1[Si](C)(C)C
InChIInChI=1S/C20H26N2Si/c1-14(2)15(3)18-11-19(22-13-20(18)23(4,5)6)17-9-7-16(12-21)8-10-17/h7-11,13-15H,1-6H3
InChIKeyNJFORKZHNHEULS-UHFFFAOYSA-N
XLogP4.92
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile
CID 140739401
[4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane
CID 140739141
trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 140720447
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane
CID 155612207
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
CID 174081662
CID 174081662
4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile
CID 140739370
4-(5-methyl-4-phenyl-2-pyridinyl)benzonitrile
CID 168821635
4-[(2R)-3-methylbutan-2-yl]benzonitrile
CID 89060357
[4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 156658003
5-[6-(4-cyanophenyl)-3-pyridinyl]pyrazine-2-carbonitrile
CID 67751358
4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile
CID 19842018

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile (CID 169039431) is 4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile is CC(C)C(C)c1cc(-c2ccc(C#N)cc2)ncc1[Si](C)(C)C.
What is the InChIKey of 4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile?
The InChIKey is NJFORKZHNHEULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2Si/c1-14(2)15(3)18-11-19(22-13-20(18)23(4,5)6)17-9-7-16(12-21)8-10-17/h7-11,13-15H,1-6H3.
What are the key properties of 4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile?
4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile has a molecular weight of 322.53 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile is sourced from PubChem (CID 169039431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).