4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile

C14H22N2OSi — CID 131729431

IUPAC4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile
SMILESCc1cc(C(C)(C)O[SiH2]C(C)(C)C)cc(C#N)n1
InChIInChI=1S/C14H22N2OSi/c1-10-7-11(8-12(9-15)16-10)14(5,6)17-18-13(2,3)4/h7-8H,18H2,1-6H3
InChIKeyBQLCJBPHSTYHRG-UHFFFAOYSA-N
MW262.43 g/mol
LogP2.82
Rot. Bonds3

About 4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile

4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile (PubChem CID 131729431) has the molecular formula C14H22N2OSi and a molecular weight of 262.43 g/mol. Its IUPAC name is 4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile
PubChem CID131729431
Molecular FormulaC14H22N2OSi
Molecular Weight262.43 g/mol
Exact Mass262.15
IUPAC Name4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile
SMILESCc1cc(C(C)(C)O[SiH2]C(C)(C)C)cc(C#N)n1
InChIInChI=1S/C14H22N2OSi/c1-10-7-11(8-12(9-15)16-10)14(5,6)17-18-13(2,3)4/h7-8H,18H2,1-6H3
InChIKeyBQLCJBPHSTYHRG-UHFFFAOYSA-N
XLogP2.82
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 52.82
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-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile?
The IUPAC name of 4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile (CID 131729431) is 4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile is Cc1cc(C(C)(C)O[SiH2]C(C)(C)C)cc(C#N)n1.
What is the InChIKey of 4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile?
The InChIKey is BQLCJBPHSTYHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OSi/c1-10-7-11(8-12(9-15)16-10)14(5,6)17-18-13(2,3)4/h7-8H,18H2,1-6H3.
What are the key properties of 4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile?
4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile has a molecular weight of 262.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylsilyloxypropan-2-yl)-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 131729431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).