(1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol

C25H20F2NO+ — CID 23326075

IUPAC(1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc[n+](Cc2ccccc2)cc1
InChIInChI=1S/C25H20F2NO/c26-23-10-6-20(7-11-23)25(29,21-8-12-24(27)13-9-21)22-14-16-28(17-15-22)18-19-4-2-1-3-5-19/h1-17,29H,18H2/q+1
InChIKeyUCMFIVRMXXKLEC-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.58
Rot. Bonds5

About (1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol

(1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol (PubChem CID 23326075) has the molecular formula C25H20F2NO+ and a molecular weight of 388.44 g/mol. Its IUPAC name is (1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol
PubChem CID23326075
Molecular FormulaC25H20F2NO+
Molecular Weight388.44 g/mol
Exact Mass388.15
IUPAC Name(1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc[n+](Cc2ccccc2)cc1
InChIInChI=1S/C25H20F2NO/c26-23-10-6-20(7-11-23)25(29,21-8-12-24(27)13-9-21)22-14-16-28(17-15-22)18-19-4-2-1-3-5-19/h1-17,29H,18H2/q+1
InChIKeyUCMFIVRMXXKLEC-UHFFFAOYSA-N
XLogP4.58
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

SR2211
CID 51035449
Pirmenol
CID 65502
alpha-Phenyl-4-pyridinemethanol
CID 98305
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
6-(3,4-Difluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033652
6-(4-Fluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033730
5-(4-Fluorophenyl)-1-(pyridin-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 25034657
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol?
The IUPAC name of (1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol (CID 23326075) is (1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol.
What is the SMILES notation for (1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol?
The canonical SMILES for (1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc[n+](Cc2ccccc2)cc1.
What is the InChIKey of (1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol?
The InChIKey is UCMFIVRMXXKLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2NO/c26-23-10-6-20(7-11-23)25(29,21-8-12-24(27)13-9-21)22-14-16-28(17-15-22)18-19-4-2-1-3-5-19/h1-17,29H,18H2/q+1.
What are the key properties of (1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol?
(1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol has a molecular weight of 388.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyridin-1-ium-4-yl)-bis(4-fluorophenyl)methanol is sourced from PubChem (CID 23326075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).