[4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane

C16H21FNSi+ — CID 171723772

IUPAC[4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
SMILES[2H]c1cc(-c2ccc(F)cc2C)[n+](C)cc1[Si](C)(C)C
InChIInChI=1S/C16H21FNSi/c1-12-10-13(17)6-8-15(12)16-9-7-14(11-18(16)2)19(3,4)5/h6-11H,1-5H3/q+1/i7D
InChIKeyBRIPMBHLTFNHMI-WHRKIXHSSA-N
MW275.44 g/mol
LogP3.17
Rot. Bonds2

About [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane

[4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane (PubChem CID 171723772) has the molecular formula C16H21FNSi+ and a molecular weight of 275.44 g/mol. Its IUPAC name is [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
PubChem CID171723772
Molecular FormulaC16H21FNSi+
Molecular Weight275.44 g/mol
Exact Mass275.15
IUPAC Name[4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
SMILES[2H]c1cc(-c2ccc(F)cc2C)[n+](C)cc1[Si](C)(C)C
InChIInChI=1S/C16H21FNSi/c1-12-10-13(17)6-8-15(12)16-9-7-14(11-18(16)2)19(3,4)5/h6-11H,1-5H3/q+1/i7D
InChIKeyBRIPMBHLTFNHMI-WHRKIXHSSA-N
XLogP3.17
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.17
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'}

Analyze [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane 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

[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-fluoro-2-methylphenyl]-1-methylpyridin-1-ium-3-yl]-trimethylsilane
CID 171723647
[4-(2-deuteriopropan-2-yl)-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane
CID 166010859
[2-[4-fluoro-2-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane
CID 167365287
5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123794284
5-tert-butyl-2-(4-fluoro-2-methylphenyl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methylpyridin-1-ium
CID 172534914
[6-(4-fluoro-2-methylphenyl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane
CID 172534850
2-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-[2-methyl-4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium
CID 176787469
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140677194
trimethyl-[1-methyl-6-(3-methyldibenzofuran-2-yl)pyridin-1-ium-3-yl]silane
CID 167365206
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane
CID 158022992
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026

Frequently Asked Questions

What is the IUPAC name of [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane?
The IUPAC name of [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane (CID 171723772) is [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane.
What is the SMILES notation for [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane?
The canonical SMILES for [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane is [2H]c1cc(-c2ccc(F)cc2C)[n+](C)cc1[Si](C)(C)C.
What is the InChIKey of [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane?
The InChIKey is BRIPMBHLTFNHMI-WHRKIXHSSA-N. The full InChI is InChI=1S/C16H21FNSi/c1-12-10-13(17)6-8-15(12)16-9-7-14(11-18(16)2)19(3,4)5/h6-11H,1-5H3/q+1/i7D.
What are the key properties of [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane?
[4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane has a molecular weight of 275.44 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-deuterio-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 171723772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).