2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium

C20H17F3N+ — CID 168892713

IUPAC2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(C)[n+]1-c1ccccc1
InChIInChI=1S/C20H17F3N/c1-14-12-17(16-8-10-18(11-9-16)20(21,22)23)13-15(2)24(14)19-6-4-3-5-7-19/h3-13H,1-2H3/q+1
InChIKeyIWEDQWSBXOQDSY-UHFFFAOYSA-N
MW328.36 g/mol
LogP5.27
Rot. Bonds2

About 2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium

2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium (PubChem CID 168892713) has the molecular formula C20H17F3N+ and a molecular weight of 328.36 g/mol. Its IUPAC name is 2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium.

Molecular Properties

Compound Name2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium
PubChem CID168892713
Molecular FormulaC20H17F3N+
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(C)[n+]1-c1ccccc1
InChIInChI=1S/C20H17F3N/c1-14-12-17(16-8-10-18(11-9-16)20(21,22)23)13-15(2)24(14)19-6-4-3-5-7-19/h3-13H,1-2H3/q+1
InChIKeyIWEDQWSBXOQDSY-UHFFFAOYSA-N
XLogP5.27
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
ethane;toluene;trifluoromethylbenzene
CID 161105309
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
1-(4-bromophenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium
CID 168892694
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]benzene;1,2,3-trifluoro-5-phenylbenzene
CID 158082344
ethane;bis(trifluoromethylbenzene)
CID 142912000
trihydroxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172329

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium?
The IUPAC name of 2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium (CID 168892713) is 2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium.
What is the SMILES notation for 2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium?
The canonical SMILES for 2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(C)[n+]1-c1ccccc1.
What is the InChIKey of 2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium?
The InChIKey is IWEDQWSBXOQDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N/c1-14-12-17(16-8-10-18(11-9-16)20(21,22)23)13-15(2)24(14)19-6-4-3-5-7-19/h3-13H,1-2H3/q+1.
What are the key properties of 2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium?
2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium has a molecular weight of 328.36 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 168892713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).