4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile

C18H22N2Si — CID 140739370

IUPAC4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile
SMILESCC(C)c1cc([Si](C)(C)C)cnc1-c1ccc(C#N)cc1
InChIInChI=1S/C18H22N2Si/c1-13(2)17-10-16(21(3,4)5)12-20-18(17)15-8-6-14(11-19)7-9-15/h6-10,12-13H,1-5H3
InChIKeySCFZOMDILGVAQK-UHFFFAOYSA-N
MW294.47 g/mol
LogP4.29
Rot. Bonds3

About 4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile

4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile (PubChem CID 140739370) has the molecular formula C18H22N2Si and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile
PubChem CID140739370
Molecular FormulaC18H22N2Si
Molecular Weight294.47 g/mol
Exact Mass294.16
IUPAC Name4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile
SMILESCC(C)c1cc([Si](C)(C)C)cnc1-c1ccc(C#N)cc1
InChIInChI=1S/C18H22N2Si/c1-13(2)17-10-16(21(3,4)5)12-20-18(17)15-8-6-14(11-19)7-9-15/h6-10,12-13H,1-5H3
InChIKeySCFZOMDILGVAQK-UHFFFAOYSA-N
XLogP4.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 54.29
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-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile
CID 169039431
4-(5-propan-2-ylfuran-2-yl)benzonitrile
CID 126610108
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
4-[3,6,8-tris(4-trimethylsilylphenyl)pyren-1-yl]benzonitrile
CID 59391192
4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 90026926
6-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 82113723
4-(2-propan-2-yl-4-propylphenyl)benzonitrile
CID 175441217
4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
CID 68627082
6-naphthalen-2-ylpyridine-3-carbonitrile
CID 10537434
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile
CID 138708647

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile?
The IUPAC name of 4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile (CID 140739370) is 4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile is CC(C)c1cc([Si](C)(C)C)cnc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile?
The InChIKey is SCFZOMDILGVAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2Si/c1-13(2)17-10-16(21(3,4)5)12-20-18(17)15-8-6-14(11-19)7-9-15/h6-10,12-13H,1-5H3.
What are the key properties of 4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile?
4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile has a molecular weight of 294.47 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 140739370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).