[1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane

C18H23F3NSi+ — CID 171724044

IUPAC[1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1ccc(C(F)(F)F)cc1-c1cc(C)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C18H23F3NSi/c1-12-7-8-14(18(19,20)21)10-15(12)16-9-13(2)17(11-22(16)3)23(4,5)6/h7-11H,1-6H3/q+1
InChIKeyTUBHPTBXRBELHG-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.36
Rot. Bonds2

About [1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane

[1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane (PubChem CID 171724044) has the molecular formula C18H23F3NSi+ and a molecular weight of 338.47 g/mol. Its IUPAC name is [1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
PubChem CID171724044
Molecular FormulaC18H23F3NSi+
Molecular Weight338.47 g/mol
Exact Mass338.15
IUPAC Name[1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1ccc(C(F)(F)F)cc1-c1cc(C)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C18H23F3NSi/c1-12-7-8-14(18(19,20)21)10-15(12)16-9-13(2)17(11-22(16)3)23(4,5)6/h7-11H,1-6H3/q+1
InChIKeyTUBHPTBXRBELHG-UHFFFAOYSA-N
XLogP4.36
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
CID 157377199
[6-(4-tert-butyl-5-fluoro-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]-trimethylsilane
CID 171724066
[1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 163850942
[6-[4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)-2-methyl-5-(trideuteriomethyl)phenyl]-1-methyl-4-(trideuteriomethyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 169076413
[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 163545923
[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane;[2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-propan-2-ylpyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-5-propan-2-ylpyridin-1-ium-4-yl]silane
CID 158592856
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane
CID 167357509
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-4-(trideuteriomethyl)phenyl]-1-methyl-4,5-bis(trideuteriomethyl)pyridin-1-ium
CID 172534880
5-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methylpyridin-1-ium
CID 172534721
[4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 167365261
1,5-dimethyl-2-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]pyridin-1-ium
CID 167365808

Frequently Asked Questions

What is the IUPAC name of [1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The IUPAC name of [1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane (CID 171724044) is [1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane.
What is the SMILES notation for [1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The canonical SMILES for [1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane is Cc1ccc(C(F)(F)F)cc1-c1cc(C)c([Si](C)(C)C)c[n+]1C.
What is the InChIKey of [1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The InChIKey is TUBHPTBXRBELHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3NSi/c1-12-7-8-14(18(19,20)21)10-15(12)16-9-13(2)17(11-22(16)3)23(4,5)6/h7-11H,1-6H3/q+1.
What are the key properties of [1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
[1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane has a molecular weight of 338.47 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 171724044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).