pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol

C20H13F6NO — CID 23396024

IUPACpyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccncc1)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H13F6NO/c21-19(22,23)16-5-1-13(2-6-16)18(28,15-9-11-27-12-10-15)14-3-7-17(8-4-14)20(24,25)26/h1-12,28H
InChIKeyLQEQLFGTJFZJLX-UHFFFAOYSA-N
MW397.32 g/mol
LogP5.40
Rot. Bonds3

About pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol

pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol (PubChem CID 23396024) has the molecular formula C20H13F6NO and a molecular weight of 397.32 g/mol. Its IUPAC name is pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namepyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol
PubChem CID23396024
Molecular FormulaC20H13F6NO
Molecular Weight397.32 g/mol
Exact Mass397.09
IUPAC Namepyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccncc1)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H13F6NO/c21-19(22,23)16-5-1-13(2-6-16)18(28,15-9-11-27-12-10-15)14-3-7-17(8-4-14)20(24,25)26/h1-12,28H
InChIKeyLQEQLFGTJFZJLX-UHFFFAOYSA-N
XLogP5.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.32
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

SR2211
CID 51035449
alpha-Phenyl-4-pyridinemethanol
CID 98305
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
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
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol (CID 23396024) is pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol is OC(c1ccncc1)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is LQEQLFGTJFZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO/c21-19(22,23)16-5-1-13(2-6-16)18(28,15-9-11-27-12-10-15)14-3-7-17(8-4-14)20(24,25)26/h1-12,28H.
What are the key properties of pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol?
pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 397.32 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-bis[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 23396024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).