4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile

C12H15F3N2OSi — CID 59570361

IUPAC4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile
SMILESCC(O[Si](C)(C)C)(c1ccnc(C#N)c1)C(F)(F)F
InChIInChI=1S/C12H15F3N2OSi/c1-11(12(13,14)15,18-19(2,3)4)9-5-6-17-10(7-9)8-16/h5-7H,1-4H3
InChIKeyLPUITBAAMMYNHB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.58
Rot. Bonds3

About 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile

4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile (PubChem CID 59570361) has the molecular formula C12H15F3N2OSi and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile
PubChem CID59570361
Molecular FormulaC12H15F3N2OSi
Molecular Weight288.35 g/mol
Exact Mass288.09
IUPAC Name4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile
SMILESCC(O[Si](C)(C)C)(c1ccnc(C#N)c1)C(F)(F)F
InChIInChI=1S/C12H15F3N2OSi/c1-11(12(13,14)15,18-19(2,3)4)9-5-6-17-10(7-9)8-16/h5-7H,1-4H3
InChIKeyLPUITBAAMMYNHB-UHFFFAOYSA-N
XLogP3.58
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2,2-Trifluoro-1-(trifluoromethyl)-1-((trimethylsilyl)oxy)ethyl)pyridine
CID 12179444
Trimethyl-(2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethoxy)silane
CID 11163162
4,4,4-Trifluoro-2-pyridin-4-ylbutan-2-ol
CID 134968286
2-(tert-Butyldimethylsilyloxy)-2-(pyridin-3-yl)acetonitrile
CID 10634316
2-(3-Pyridyl)-2-(trimethylsiloxy)acetonitrile
CID 11469818
(e)-2-Methyl-4-(3-methylpyridin-2-yl)-2-(trimethyl-silyloxy)but-3-enenitrile
CID 129825564
(1,1,1,3,3,3-Hexafluoro-2-pyridin-4-ylpropan-2-yl)oxy-trimethylsilane
CID 12179446
2-(5-Fluoro-2-methyl-4-pyridinyl)propan-2-ol
CID 58189667
1,1,1-Trifluoro-2-pyridin-4-ylpropan-2-ol
CID 59149478
4-[2,2,2-Trifluoro-1-methyl-1-(trimethylsilyloxy)ethyl]pyridine
CID 59570279
4-[2,2,2-Trifluoro-1-(triethylsilyloxy)ethyl]pyridine
CID 59570294
4-[2,2,2-Trifluoro-1-(triethylsilyloxy)ethyl]pyridine-2-carbonitrile
CID 59570299

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile (CID 59570361) is 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile is CC(O[Si](C)(C)C)(c1ccnc(C#N)c1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile?
The InChIKey is LPUITBAAMMYNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OSi/c1-11(12(13,14)15,18-19(2,3)4)9-5-6-17-10(7-9)8-16/h5-7H,1-4H3.
What are the key properties of 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile?
4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 59570361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).