3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate

C118H102Cl7F11N28O11 — CID 161037707

About 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate

3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate (PubChem CID 161037707) has the molecular formula C118H102Cl7F11N28O11 and a molecular weight of 2545.45 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate
• PubChem CID: 161037707
• Molecular Formula: C118H102Cl7F11N28O11
• Molecular Weight: 2545.45 g/mol
• Exact Mass: 2540.59
• IUPAC Name: 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate
• SMILES: CCOc1ncc(Cn2cnc(C)n2)cc1-c1cccc(Cl)c1.CCOc1ncc(Cn2ncnc2C(F)(F)F)cc1-c1cccc(Cl)c1.CCOc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.COC(=O)c1ncn(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)n1.COc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.Cc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.FC(F)Oc1ncc(Cn2cnc(C3CC3)n2)cc1-c1cccc(Cl)c1
• InChI: InChI=1S/C18H15ClF2N4O.C17H14ClF3N4O.C17H15ClF2N4O2.C17H15ClN4O3.C17H17ClN4O.C16H13ClF2N4O2.C16H13ClF2N4O/c19-14-3-1-2-13(7-14)15-6-11(8-22-17(15)26-18(20)21)9-25-10-23-16(24-25)12-4-5-12;1-2-26-15-14(12-4-3-5-13(18)7-12)6-11(8-22-15)9-25-16(17(19,20)21)23-10-24-25;1-2-25-17-22-10-24(23-17)9-11-6-14(12-4-3-5-13(18)7-12)15(21-8-11)26-16(19)20;1-24-16-14(12-4-3-5-13(18)7-12)6-11(8-19-16)9-22-10-20-15(21-22)17(23)25-2;1-3-23-17-16(14-5-4-6-15(18)8-14)7-13(9-19-17)10-22-11-20-12(2)21-22;1-24-16-21-9-23(22-16)8-10-5-13(11-3-2-4-12(17)6-11)14(20-7-10)25-15(18)19;1-10-21-9-23(22-10)8-11-5-14(12-3-2-4-13(17)6-12)15(20-7-11)24-16(18)19/h1-3,6-8,10,12,18H,4-5,9H2;3-8,10H,2,9H2,1H3;3-8,10,16H,2,9H2,1H3;3-8,10H,9H2,1-2H3;4-9,11H,3,10H2,1-2H3;2-7,9,15H,8H2,1H3;2-7,9,16H,8H2,1H3
• InChIKey: UALXXNIQXVFFDO-UHFFFAOYSA-N
• XLogP: 27.21
• TPSA: 414.57 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2545.45
LogP ≤ 5	27.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate?

The IUPAC name of 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate (CID 161037707) is 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate.

What is the SMILES notation for 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate?

The canonical SMILES for 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate is CCOc1ncc(Cn2cnc(C)n2)cc1-c1cccc(Cl)c1.CCOc1ncc(Cn2ncnc2C(F)(F)F)cc1-c1cccc(Cl)c1.CCOc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.COC(=O)c1ncn(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)n1.COc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.Cc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.FC(F)Oc1ncc(Cn2cnc(C3CC3)n2)cc1-c1cccc(Cl)c1.

What is the InChIKey of 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate?

The InChIKey is UALXXNIQXVFFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O.C17H14ClF3N4O.C17H15ClF2N4O2.C17H15ClN4O3.C17H17ClN4O.C16H13ClF2N4O2.C16H13ClF2N4O/c19-14-3-1-2-13(7-14)15-6-11(8-22-17(15)26-18(20)21)9-25-10-23-16(24-25)12-4-5-12;1-2-26-15-14(12-4-3-5-13(18)7-12)6-11(8-22-15)9-25-16(17(19,20)21)23-10-24-25;1-2-25-17-22-10-24(23-17)9-11-6-14(12-4-3-5-13(18)7-12)15(21-8-11)26-16(19)20;1-24-16-14(12-4-3-5-13(18)7-12)6-11(8-19-16)9-22-10-20-15(21-22)17(23)25-2;1-3-23-17-16(14-5-4-6-15(18)8-14)7-13(9-19-17)10-22-11-20-12(2)21-22;1-24-16-21-9-23(22-16)8-10-5-13(11-3-2-4-12(17)6-11)14(20-7-10)25-15(18)19;1-10-21-9-23(22-10)8-11-5-14(12-3-2-4-13(17)6-12)15(20-7-11)24-16(18)19/h1-3,6-8,10,12,18H,4-5,9H2;3-8,10H,2,9H2,1H3;3-8,10,16H,2,9H2,1H3;3-8,10H,9H2,1-2H3;4-9,11H,3,10H2,1-2H3;2-7,9,15H,8H2,1H3;2-7,9,16H,8H2,1H3.

What are the key properties of 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate?

3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate has a molecular weight of 2545.45 g/mol, XLogP of 27.21, 39 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 161037707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).