2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium

C20H19FNO+ — CID 154594189

IUPAC2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium
SMILESCOc1ccc(-c2cc(C)[n+](C)c(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H19FNO/c1-14-12-17(15-6-10-19(23-3)11-7-15)13-20(22(14)2)16-4-8-18(21)9-5-16/h4-13H,1-3H3/q+1
InChIKeyWVKGHTLMYDVBDT-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.30
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium

2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium (PubChem CID 154594189) has the molecular formula C20H19FNO+ and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium
PubChem CID154594189
Molecular FormulaC20H19FNO+
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium
SMILESCOc1ccc(-c2cc(C)[n+](C)c(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H19FNO/c1-14-12-17(15-6-10-19(23-3)11-7-15)13-20(22(14)2)16-4-8-18(21)9-5-16/h4-13H,1-3H3/q+1
InChIKeyWVKGHTLMYDVBDT-UHFFFAOYSA-N
XLogP4.30
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1,3-oxazol-3-ium-5-olate
CID 50901848
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
6-methoxy-1,2-dimethylquinolin-1-ium
CID 785074
3-fluoro-6-methoxy-9H-carbazole
CID 171714917
1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium
CID 168892691
4-[4-[(E)-2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methylpyridin-1-ium-2-yl]ethenyl]-N-methylanilino]butanenitrile iodide
CID 154594311
5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
CID 132540116

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium (CID 154594189) is 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium is COc1ccc(-c2cc(C)[n+](C)c(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium?
The InChIKey is WVKGHTLMYDVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FNO/c1-14-12-17(15-6-10-19(23-3)11-7-15)13-20(22(14)2)16-4-8-18(21)9-5-16/h4-13H,1-3H3/q+1.
What are the key properties of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium?
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium has a molecular weight of 308.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium is sourced from PubChem (CID 154594189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).