1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol

C93H69Cl5F4N12O4 — CID 160992469

IUPAC1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
SMILESOC(c1cccnc1-c1cc(Cl)cc(Cl)c1)C(c1cccnc1)c1cccnc1.OC(c1cccnc1-c1cc(Cl)cc(Cl)c1)C(c1cccnc1)c1cccnc1F.OC(c1cccnc1-c1cccc(C(F)(F)F)c1)C(c1cccnc1)c1cccnc1.OC(c1cccnc1-c1ccccc1Cl)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C24H18F3N3O.C23H16Cl2FN3O.C23H17Cl2N3O.C23H18ClN3O/c25-24(26,27)19-8-1-5-16(13-19)22-20(9-4-12-30-22)23(31)21(17-6-2-10-28-14-17)18-7-3-11-29-15-18;24-16-10-15(11-17(25)12-16)21-19(6-3-8-28-21)22(30)20(14-4-1-7-27-13-14)18-5-2-9-29-23(18)26;24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16;24-20-10-2-1-8-18(20)22-19(9-5-13-27-22)23(28)21(16-6-3-11-25-14-16)17-7-4-12-26-15-17/h1-15,21,23,31H;1-13,20,22,30H;1-14,21,23,29H;1-15,21,23,28H
InChIKeyTUUXIJRTKVMLAL-UHFFFAOYSA-N
MW1671.91 g/mol
LogP22.04
Rot. Bonds20

About 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol

1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol (PubChem CID 160992469) has the molecular formula C93H69Cl5F4N12O4 and a molecular weight of 1671.91 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
PubChem CID160992469
Molecular FormulaC93H69Cl5F4N12O4
Molecular Weight1671.91 g/mol
Exact Mass1668.39
IUPAC Name1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
SMILESOC(c1cccnc1-c1cc(Cl)cc(Cl)c1)C(c1cccnc1)c1cccnc1.OC(c1cccnc1-c1cc(Cl)cc(Cl)c1)C(c1cccnc1)c1cccnc1F.OC(c1cccnc1-c1cccc(C(F)(F)F)c1)C(c1cccnc1)c1cccnc1.OC(c1cccnc1-c1ccccc1Cl)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C24H18F3N3O.C23H16Cl2FN3O.C23H17Cl2N3O.C23H18ClN3O/c25-24(26,27)19-8-1-5-16(13-19)22-20(9-4-12-30-22)23(31)21(17-6-2-10-28-14-17)18-7-3-11-29-15-18;24-16-10-15(11-17(25)12-16)21-19(6-3-8-28-21)22(30)20(14-4-1-7-27-13-14)18-5-2-9-29-23(18)26;24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16;24-20-10-2-1-8-18(20)22-19(9-5-13-27-22)23(28)21(16-6-3-11-25-14-16)17-7-4-12-26-15-17/h1-15,21,23,31H;1-13,20,22,30H;1-14,21,23,29H;1-15,21,23,28H
InChIKeyTUUXIJRTKVMLAL-UHFFFAOYSA-N
XLogP22.04
TPSA235.60 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001671.91
LogP ≤ 522.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The IUPAC name of 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol (CID 160992469) is 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The canonical SMILES for 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol is OC(c1cccnc1-c1cc(Cl)cc(Cl)c1)C(c1cccnc1)c1cccnc1.OC(c1cccnc1-c1cc(Cl)cc(Cl)c1)C(c1cccnc1)c1cccnc1F.OC(c1cccnc1-c1cccc(C(F)(F)F)c1)C(c1cccnc1)c1cccnc1.OC(c1cccnc1-c1ccccc1Cl)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The InChIKey is TUUXIJRTKVMLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O.C23H16Cl2FN3O.C23H17Cl2N3O.C23H18ClN3O/c25-24(26,27)19-8-1-5-16(13-19)22-20(9-4-12-30-22)23(31)21(17-6-2-10-28-14-17)18-7-3-11-29-15-18;24-16-10-15(11-17(25)12-16)21-19(6-3-8-28-21)22(30)20(14-4-1-7-27-13-14)18-5-2-9-29-23(18)26;24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16;24-20-10-2-1-8-18(20)22-19(9-5-13-27-22)23(28)21(16-6-3-11-25-14-16)17-7-4-12-26-15-17/h1-15,21,23,31H;1-13,20,22,30H;1-14,21,23,29H;1-15,21,23,28H.
What are the key properties of 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol has a molecular weight of 1671.91 g/mol, XLogP of 22.04, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol is sourced from PubChem (CID 160992469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).