1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol

C178H140ClF21N16O28 — CID 158710347

IUPAC1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
SMILESCC(=O)c1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)c(C(F)(F)F)c1.CC1(C)OCC(c2cccc(-c3ccc(O)cc3)n2)O1.N#Cc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(O)CO)n2)cc1.N#Cc1cc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)ccc1C(F)(F)F.N#Cc1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)c(C(F)(F)F)c1.N#Cc1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)cc1.OCC(O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.OCC(O)c1cccc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)n1.OCC(O)c1cccc(-c2ccc(Oc3ncccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C22H18F3NO4.3C21H15F3N2O3.C20H16N2O3.C19H14ClF3N2O3.2C19H15F3N2O3.C16H17NO3/c1-13(28)15-7-10-21(17(11-15)22(23,24)25)30-16-8-5-14(6-9-16)18-3-2-4-19(26-18)20(29)12-27;22-21(23,24)16-10-13(11-25)4-9-20(16)29-15-7-5-14(6-8-15)17-2-1-3-18(26-17)19(28)12-27;22-21(23,24)15-6-9-20(14(10-15)11-25)29-16-7-4-13(5-8-16)17-2-1-3-18(26-17)19(28)12-27;22-21(23,24)17-9-8-16(10-14(17)11-25)29-15-6-4-13(5-7-15)18-2-1-3-19(26-18)20(28)12-27;21-12-14-4-8-16(9-5-14)25-17-10-6-15(7-11-17)18-2-1-3-19(22-18)20(24)13-23;20-14-8-12(19(21,22)23)9-24-18(14)28-13-6-4-11(5-7-13)15-2-1-3-16(25-15)17(27)10-26;20-19(21,22)14-3-2-10-23-18(14)27-13-8-6-12(7-9-13)15-4-1-5-16(24-15)17(26)11-25;20-19(21,22)13-6-9-18(23-10-13)27-14-7-4-12(5-8-14)15-2-1-3-16(24-15)17(26)11-25;1-16(2)19-10-15(20-16)14-5-3-4-13(17-14)11-6-8-12(18)9-7-11/h2-11,20,27,29H,12H2,1H3;2*1-10,19,27-28H,12H2;1-10,20,27-28H,12H2;1-11,20,23-24H,13H2;1-9,17,26-27H,10H2;2*1-10,17,25-26H,11H2;3-9,15,18H,10H2,1-2H3
InChIKeyIIQDFDMONZZOJC-UHFFFAOYSA-N
MW3385.57 g/mol
LogP37.47
Rot. Bonds43

About 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol

1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol (PubChem CID 158710347) has the molecular formula C178H140ClF21N16O28 and a molecular weight of 3385.57 g/mol. Its IUPAC name is 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
PubChem CID158710347
Molecular FormulaC178H140ClF21N16O28
Molecular Weight3385.57 g/mol
Exact Mass3382.94
IUPAC Name1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
SMILESCC(=O)c1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)c(C(F)(F)F)c1.CC1(C)OCC(c2cccc(-c3ccc(O)cc3)n2)O1.N#Cc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(O)CO)n2)cc1.N#Cc1cc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)ccc1C(F)(F)F.N#Cc1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)c(C(F)(F)F)c1.N#Cc1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)cc1.OCC(O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.OCC(O)c1cccc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)n1.OCC(O)c1cccc(-c2ccc(Oc3ncccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C22H18F3NO4.3C21H15F3N2O3.C20H16N2O3.C19H14ClF3N2O3.2C19H15F3N2O3.C16H17NO3/c1-13(28)15-7-10-21(17(11-15)22(23,24)25)30-16-8-5-14(6-9-16)18-3-2-4-19(26-18)20(29)12-27;22-21(23,24)16-10-13(11-25)4-9-20(16)29-15-7-5-14(6-8-15)17-2-1-3-18(26-17)19(28)12-27;22-21(23,24)15-6-9-20(14(10-15)11-25)29-16-7-4-13(5-8-16)17-2-1-3-18(26-17)19(28)12-27;22-21(23,24)17-9-8-16(10-14(17)11-25)29-15-6-4-13(5-7-15)18-2-1-3-19(26-18)20(28)12-27;21-12-14-4-8-16(9-5-14)25-17-10-6-15(7-11-17)18-2-1-3-19(22-18)20(24)13-23;20-14-8-12(19(21,22)23)9-24-18(14)28-13-6-4-11(5-7-13)15-2-1-3-16(25-15)17(27)10-26;20-19(21,22)14-3-2-10-23-18(14)27-13-8-6-12(7-9-13)15-4-1-5-16(24-15)17(26)11-25;20-19(21,22)13-6-9-18(23-10-13)27-14-7-4-12(5-8-14)15-2-1-3-16(24-15)17(26)11-25;1-16(2)19-10-15(20-16)14-5-3-4-13(17-14)11-6-8-12(18)9-7-11/h2-11,20,27,29H,12H2,1H3;2*1-10,19,27-28H,12H2;1-10,20,27-28H,12H2;1-11,20,23-24H,13H2;1-9,17,26-27H,10H2;2*1-10,17,25-26H,11H2;3-9,15,18H,10H2,1-2H3
InChIKeyIIQDFDMONZZOJC-UHFFFAOYSA-N
XLogP37.47
TPSA703.12 Ų
H-Bond Donors17
H-Bond Acceptors44
Rotatable Bonds43
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003385.57
LogP ≤ 537.47
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1044

Analyze 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

2-(3-Chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-5-yl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-4-yl)benzo[f]chromen-1-one;2-(3-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one;2-(3-methoxy-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate;2-[3-(trifluoromethoxy)-2-pyridinyl]benzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one
CID 158253571
2-(3-Chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(3-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one;2-(3-methoxy-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate;2-[3-(trifluoromethoxy)-2-pyridinyl]benzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one
CID 158531106
1-[6-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)pyridine-4-carbonitrile;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
CID 161967648

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
The IUPAC name of 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol (CID 158710347) is 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol.
What is the SMILES notation for 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
The canonical SMILES for 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol is CC(=O)c1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)c(C(F)(F)F)c1.CC1(C)OCC(c2cccc(-c3ccc(O)cc3)n2)O1.N#Cc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(O)CO)n2)cc1.N#Cc1cc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)ccc1C(F)(F)F.N#Cc1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)c(C(F)(F)F)c1.N#Cc1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)cc1.OCC(O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.OCC(O)c1cccc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)n1.OCC(O)c1cccc(-c2ccc(Oc3ncccc3C(F)(F)F)cc2)n1.
What is the InChIKey of 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
The InChIKey is IIQDFDMONZZOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO4.3C21H15F3N2O3.C20H16N2O3.C19H14ClF3N2O3.2C19H15F3N2O3.C16H17NO3/c1-13(28)15-7-10-21(17(11-15)22(23,24)25)30-16-8-5-14(6-9-16)18-3-2-4-19(26-18)20(29)12-27;22-21(23,24)16-10-13(11-25)4-9-20(16)29-15-7-5-14(6-8-15)17-2-1-3-18(26-17)19(28)12-27;22-21(23,24)15-6-9-20(14(10-15)11-25)29-16-7-4-13(5-8-16)17-2-1-3-18(26-17)19(28)12-27;22-21(23,24)17-9-8-16(10-14(17)11-25)29-15-6-4-13(5-7-15)18-2-1-3-19(26-18)20(28)12-27;21-12-14-4-8-16(9-5-14)25-17-10-6-15(7-11-17)18-2-1-3-19(22-18)20(24)13-23;20-14-8-12(19(21,22)23)9-24-18(14)28-13-6-4-11(5-7-13)15-2-1-3-16(25-15)17(27)10-26;20-19(21,22)14-3-2-10-23-18(14)27-13-8-6-12(7-9-13)15-4-1-5-16(24-15)17(26)11-25;20-19(21,22)13-6-9-18(23-10-13)27-14-7-4-12(5-8-14)15-2-1-3-16(24-15)17(26)11-25;1-16(2)19-10-15(20-16)14-5-3-4-13(17-14)11-6-8-12(18)9-7-11/h2-11,20,27,29H,12H2,1H3;2*1-10,19,27-28H,12H2;1-10,20,27-28H,12H2;1-11,20,23-24H,13H2;1-9,17,26-27H,10H2;2*1-10,17,25-26H,11H2;3-9,15,18H,10H2,1-2H3.
What are the key properties of 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol has a molecular weight of 3385.57 g/mol, XLogP of 37.47, 43 rotatable bonds, 17 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]benzonitrile;2-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-5-(trifluoromethyl)benzonitrile;4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile;5-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-2-(trifluoromethyl)benzonitrile;1-[4-[4-[6-(1,2-dihydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)phenyl]ethanone;4-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]phenol;1-[6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol;1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 158710347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).