2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate

C25H22BF4NO — CID 11070211

IUPAC2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate
SMILESF[B-](F)(F)F.OCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C25H22NO.BF4/c27-17-16-26-24(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-25(26)22-14-8-3-9-15-22;2-1(3,4)5/h1-15,18-19,27H,16-17H2;/q+1;-1
InChIKeyHEOPNSIFGMFMFV-UHFFFAOYSA-N
MW439.26 g/mol
LogP6.27
Rot. Bonds5

About 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate

2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate (PubChem CID 11070211) has the molecular formula C25H22BF4NO and a molecular weight of 439.26 g/mol. Its IUPAC name is 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate.

Molecular Properties

Compound Name2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate
PubChem CID11070211
Molecular FormulaC25H22BF4NO
Molecular Weight439.26 g/mol
Exact Mass439.17
IUPAC Name2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate
SMILESF[B-](F)(F)F.OCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C25H22NO.BF4/c27-17-16-26-24(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-25(26)22-14-8-3-9-15-22;2-1(3,4)5/h1-15,18-19,27H,16-17H2;/q+1;-1
InChIKeyHEOPNSIFGMFMFV-UHFFFAOYSA-N
XLogP6.27
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.26
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate?
The IUPAC name of 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate (CID 11070211) is 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate.
What is the SMILES notation for 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate?
The canonical SMILES for 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate is F[B-](F)(F)F.OCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate?
The InChIKey is HEOPNSIFGMFMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22NO.BF4/c27-17-16-26-24(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-25(26)22-14-8-3-9-15-22;2-1(3,4)5/h1-15,18-19,27H,16-17H2;/q+1;-1.
What are the key properties of 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate?
2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate has a molecular weight of 439.26 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate is sourced from PubChem (CID 11070211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).