[6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane

C20H29FNSi+ — CID 167364981

IUPAC[6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1cccc(F)c1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C20H29FNSi/c1-14(2)11-16-12-18(20-15(3)9-8-10-17(20)21)22(4)13-19(16)23(5,6)7/h8-10,12-14H,11H2,1-7H3/q+1
InChIKeyIJACZYDAVVDMRX-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.37
Rot. Bonds4

About [6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane

[6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane (PubChem CID 167364981) has the molecular formula C20H29FNSi+ and a molecular weight of 330.54 g/mol. Its IUPAC name is [6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
PubChem CID167364981
Molecular FormulaC20H29FNSi+
Molecular Weight330.54 g/mol
Exact Mass330.20
IUPAC Name[6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1cccc(F)c1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C20H29FNSi/c1-14(2)11-16-12-18(20-15(3)9-8-10-17(20)21)22(4)13-19(16)23(5,6)7/h8-10,12-14H,11H2,1-7H3/q+1
InChIKeyIJACZYDAVVDMRX-UHFFFAOYSA-N
XLogP4.37
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.37
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

trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 157442242
[6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 167365158
7-methyl-8-[1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 161317179
[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-6-methyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium-3-yl]-trimethylsilane
CID 167365239
2,7-dimethyl-8-[1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 161317180
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
CID 123730706
[6-(2-fluorophenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 154591931
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]silane
CID 158976936
trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane
CID 167365044
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
2-(3,8-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium
CID 164798168
[6-[4-(2-deuteriopropan-2-yl)-2-methylphenyl]-4-[dideuterio(trimethylsilyl)methyl]-1-methylpyridin-1-ium-3-yl]-trimethylsilane
CID 168730801

Frequently Asked Questions

What is the IUPAC name of [6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane?
The IUPAC name of [6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane (CID 167364981) is [6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane.
What is the SMILES notation for [6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane?
The canonical SMILES for [6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane is Cc1cccc(F)c1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]1C.
What is the InChIKey of [6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane?
The InChIKey is IJACZYDAVVDMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FNSi/c1-14(2)11-16-12-18(20-15(3)9-8-10-17(20)21)22(4)13-19(16)23(5,6)7/h8-10,12-14H,11H2,1-7H3/q+1.
What are the key properties of [6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane?
[6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane has a molecular weight of 330.54 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 167364981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).