4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile

C14H19F3N2OSi — CID 59570299

IUPAC4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile
SMILESCC[Si](CC)(CC)OC(c1ccnc(C#N)c1)C(F)(F)F
InChIInChI=1S/C14H19F3N2OSi/c1-4-21(5-2,6-3)20-13(14(15,16)17)11-7-8-19-12(9-11)10-18/h7-9,13H,4-6H2,1-3H3
InChIKeyIHYIIFRWGKCABU-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.58
Rot. Bonds6

About 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile

4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile (PubChem CID 59570299) has the molecular formula C14H19F3N2OSi and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile
PubChem CID59570299
Molecular FormulaC14H19F3N2OSi
Molecular Weight316.40 g/mol
Exact Mass316.12
IUPAC Name4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile
SMILESCC[Si](CC)(CC)OC(c1ccnc(C#N)c1)C(F)(F)F
InChIInChI=1S/C14H19F3N2OSi/c1-4-21(5-2,6-3)20-13(14(15,16)17)11-7-8-19-12(9-11)10-18/h7-9,13H,4-6H2,1-3H3
InChIKeyIHYIIFRWGKCABU-UHFFFAOYSA-N
XLogP4.58
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile (CID 59570299) is 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile is CC[Si](CC)(CC)OC(c1ccnc(C#N)c1)C(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile?
The InChIKey is IHYIIFRWGKCABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OSi/c1-4-21(5-2,6-3)20-13(14(15,16)17)11-7-8-19-12(9-11)10-18/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile?
4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile has a molecular weight of 316.40 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 59570299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).