bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine

C107H85Cl4F10N29O8 — CID 157279419

About bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine

bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 157279419) has the molecular formula C107H85Cl4F10N29O8 and a molecular weight of 2236.84 g/mol. Its IUPAC name is bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

• Compound Name: bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine
• PubChem CID: 157279419
• Molecular Formula: C107H85Cl4F10N29O8
• Molecular Weight: 2236.84 g/mol
• Exact Mass: 2233.57
• IUPAC Name: bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine
• SMILES: COc1ncc(Cn2cncn2)cc1-c1cccc(C#N)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(F)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(OC(F)(F)F)c1.FC(F)Oc1ncc(Cn2cncn2)cc1-c1cccc(Cl)c1.FC(F)Oc1ncc(Cn2cncn2)cc1-c1cccc(Cl)c1.FC(F)Oc1ncc(Cn2nccn2)cc1-c1cccc(Cl)c1
• InChI: InChI=1S/C16H13F3N4O2.C16H13N5O.3C15H11ClF2N4O.C15H13ClN4O.C15H13FN4O/c1-24-15-14(5-11(7-21-15)8-23-10-20-9-22-23)12-3-2-4-13(6-12)25-16(17,18)19;1-22-16-15(14-4-2-3-12(5-14)7-17)6-13(8-19-16)9-21-11-18-10-20-21;2*16-12-3-1-2-11(5-12)13-4-10(7-22-9-19-8-21-22)6-20-14(13)23-15(17)18;16-12-3-1-2-11(7-12)13-6-10(9-22-20-4-5-21-22)8-19-14(13)23-15(17)18;2*1-21-15-14(12-3-2-4-13(16)6-12)5-11(7-18-15)8-20-10-17-9-19-20/h2-7,9-10H,8H2,1H3;2-6,8,10-11H,9H2,1H3;2*1-6,8-9,15H,7H2;1-8,15H,9H2;2*2-7,9-10H,8H2,1H3
• InChIKey: AZMGRIFXBJAXRX-UHFFFAOYSA-N
• XLogP: 22.08
• TPSA: 402.83 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2236.84
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine?

The IUPAC name of bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine (CID 157279419) is bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine.

What is the SMILES notation for bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine?

The canonical SMILES for bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine is COc1ncc(Cn2cncn2)cc1-c1cccc(C#N)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(F)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(OC(F)(F)F)c1.FC(F)Oc1ncc(Cn2cncn2)cc1-c1cccc(Cl)c1.FC(F)Oc1ncc(Cn2cncn2)cc1-c1cccc(Cl)c1.FC(F)Oc1ncc(Cn2nccn2)cc1-c1cccc(Cl)c1.

What is the InChIKey of bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine?

The InChIKey is AZMGRIFXBJAXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2.C16H13N5O.3C15H11ClF2N4O.C15H13ClN4O.C15H13FN4O/c1-24-15-14(5-11(7-21-15)8-23-10-20-9-22-23)12-3-2-4-13(6-12)25-16(17,18)19;1-22-16-15(14-4-2-3-12(5-14)7-17)6-13(8-19-16)9-21-11-18-10-20-21;2*16-12-3-1-2-11(5-12)13-4-10(7-22-9-19-8-21-22)6-20-14(13)23-15(17)18;16-12-3-1-2-11(7-12)13-6-10(9-22-20-4-5-21-22)8-19-14(13)23-15(17)18;2*1-21-15-14(12-3-2-4-13(16)6-12)5-11(7-18-15)8-20-10-17-9-19-20/h2-7,9-10H,8H2,1H3;2-6,8,10-11H,9H2,1H3;2*1-6,8-9,15H,7H2;1-8,15H,9H2;2*2-7,9-10H,8H2,1H3.

What are the key properties of bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine?

bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 2236.84 g/mol, XLogP of 22.08, 32 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)pyridine);3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(triazol-2-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]benzonitrile;2-methoxy-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 157279419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).