4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine

C119H118Cl3F6N15O8 — CID 157314961

About 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine

4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine (PubChem CID 157314961) has the molecular formula C119H118Cl3F6N15O8 and a molecular weight of 2106.70 g/mol. Its IUPAC name is 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine.

Molecular Properties

• Compound Name: 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine
• PubChem CID: 157314961
• Molecular Formula: C119H118Cl3F6N15O8
• Molecular Weight: 2106.70 g/mol
• Exact Mass: 2103.83
• IUPAC Name: 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine
• SMILES: Cc1cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)cc(C(F)(F)F)c1.Cc1cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)ccc1Cl.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@@H](/N=C/CF)c2ccc(C#N)cc2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2ccc(C#N)cc2)N2CCCCC2)c1.Cc1ccc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)cc1.FF
• InChI: InChI=1S/C26H26ClN3O.C24H24F3N3O2.C23H19ClFN3O.C23H24ClN3O2.C23H25N3O2.F2/c1-18-14-21(16-22(27)15-18)24-23(6-5-11-29-24)26(31)25(30-12-3-2-4-13-30)20-9-7-19(17-28)8-10-20;1-16-12-18(14-19(13-16)24(25,26)27)21-20(5-3-7-29-21)23(31)22(17-4-2-6-28-15-17)30-8-10-32-11-9-30;1-15-11-18(13-19(24)12-15)21-20(3-2-9-27-21)23(29)22(28-10-8-25)17-6-4-16(14-26)5-7-17;1-16-14-17(6-7-20(16)24)21-19(5-3-9-26-21)23(28)22(18-4-2-8-25-15-18)27-10-12-29-13-11-27;1-17-6-8-18(9-7-17)21-20(5-3-11-25-21)23(27)22(19-4-2-10-24-16-19)26-12-14-28-15-13-26;1-2/h5-11,14-16,25-26,31H,2-4,12-13H2,1H3;2-7,12-15,22-23,31H,8-11H2,1H3;2-7,9-13,22-23,29H,8H2,1H3;2-9,14-15,22-23,28H,10-13H2,1H3;2-11,16,22-23,27H,12-15H2,1H3;/b;;28-10+;;;/t25-,26+;4*22-,23+;/m00000./s1
• InChIKey: BDMFNUHWNZRENK-JQXQNBSJSA-N
• XLogP: 24.43
• TPSA: 304.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2106.70
LogP ≤ 5	24.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine?

The IUPAC name of 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine (CID 157314961) is 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine.

What is the SMILES notation for 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine?

The canonical SMILES for 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine is Cc1cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)cc(C(F)(F)F)c1.Cc1cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)ccc1Cl.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@@H](/N=C/CF)c2ccc(C#N)cc2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2ccc(C#N)cc2)N2CCCCC2)c1.Cc1ccc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)cc1.FF.

What is the InChIKey of 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine?

The InChIKey is BDMFNUHWNZRENK-JQXQNBSJSA-N. The full InChI is InChI=1S/C26H26ClN3O.C24H24F3N3O2.C23H19ClFN3O.C23H24ClN3O2.C23H25N3O2.F2/c1-18-14-21(16-22(27)15-18)24-23(6-5-11-29-24)26(31)25(30-12-3-2-4-13-30)20-9-7-19(17-28)8-10-20;1-16-12-18(14-19(13-16)24(25,26)27)21-20(5-3-7-29-21)23(31)22(17-4-2-6-28-15-17)30-8-10-32-11-9-30;1-15-11-18(13-19(24)12-15)21-20(3-2-9-27-21)23(29)22(28-10-8-25)17-6-4-16(14-26)5-7-17;1-16-14-17(6-7-20(16)24)21-19(5-3-9-26-21)23(28)22(18-4-2-8-25-15-18)27-10-12-29-13-11-27;1-17-6-8-18(9-7-17)21-20(5-3-11-25-21)23(27)22(19-4-2-10-24-16-19)26-12-14-28-15-13-26;1-2/h5-11,14-16,25-26,31H,2-4,12-13H2,1H3;2-7,12-15,22-23,31H,8-11H2,1H3;2-7,9-13,22-23,29H,8H2,1H3;2-9,14-15,22-23,28H,10-13H2,1H3;2-11,16,22-23,27H,12-15H2,1H3;/b;;28-10+;;;/t25-,26+;4*22-,23+;/m00000./s1.

What are the key properties of 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine?

4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine has a molecular weight of 2106.70 g/mol, XLogP of 24.43, 26 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-1-(2-fluoroethylideneamino)-2-hydroxyethyl]benzonitrile;4-[(1S,2R)-2-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-hydroxy-1-piperidin-1-ylethyl]benzonitrile;(1R,2S)-1-[2-(4-chloro-3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;molecular fluorine is sourced from PubChem (CID 157314961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).