3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile

C20H12F4N2O — CID 56682374

IUPAC3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile
SMILESN#Cc1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)c(F)c1
InChIInChI=1S/C20H12F4N2O/c21-18-10-13(11-25)3-8-17(18)19(27,16-2-1-9-26-12-16)14-4-6-15(7-5-14)20(22,23)24/h1-10,12,27H
InChIKeyYRESKFMGHVGGOR-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.40
Rot. Bonds3

About 3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile

3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile (PubChem CID 56682374) has the molecular formula C20H12F4N2O and a molecular weight of 372.32 g/mol. Its IUPAC name is 3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile
PubChem CID56682374
Molecular FormulaC20H12F4N2O
Molecular Weight372.32 g/mol
Exact Mass372.09
IUPAC Name3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile
SMILESN#Cc1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)c(F)c1
InChIInChI=1S/C20H12F4N2O/c21-18-10-13(11-25)3-8-17(18)19(27,16-2-1-9-26-12-16)14-4-6-15(7-5-14)20(22,23)24/h1-10,12,27H
InChIKeyYRESKFMGHVGGOR-UHFFFAOYSA-N
XLogP4.40
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

SR2211
CID 51035449
Cyprolidol
CID 199758
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
6-(3,4-Difluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033652
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
(+)--5-Hydroxy-3-phenyl-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-9-carbonitrile
CID 10018269
1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376
1,1-Diphenyl-2-pyridin-4-ylethanol
CID 303194
Benzenemethanol, alpha-phenyl-alpha-(2-(4-pyridinyl)cyclopropyl)-, hydrochloride (1:1)
CID 66260
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546
5-(4-Fluorophenyl)-2-hydroxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
CID 10065071

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile (CID 56682374) is 3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile is N#Cc1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile?
The InChIKey is YRESKFMGHVGGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N2O/c21-18-10-13(11-25)3-8-17(18)19(27,16-2-1-9-26-12-16)14-4-6-15(7-5-14)20(22,23)24/h1-10,12,27H.
What are the key properties of 3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile?
3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile has a molecular weight of 372.32 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile is sourced from PubChem (CID 56682374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).