2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine

C116H100F19N27O11 — CID 159717328

IUPAC2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine
SMILESCCOc1ncc(Cn2ncnc2COC)cc1-c1cccc(OC(F)F)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(C(F)F)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(C)c1.COc1ncc(Cn2nccc2C(F)(F)F)cc1-c1cccc(OC(F)F)c1.Cc1cccc(-c2cc(Cn3cncn3)cnc2OC(F)F)c1.FC(F)Oc1ncc(Cn2cncn2)cc1-c1cccc(OC(F)(F)F)c1.Fc1cccc(-c2cc(Cn3cncn3)cnc2OC(F)F)c1
InChIInChI=1S/C19H20F2N4O3.C18H14F5N3O2.C16H11F5N4O2.2C16H14F2N4O.C16H16N4O.C15H11F3N4O/c1-3-27-18-16(14-5-4-6-15(8-14)28-19(20)21)7-13(9-22-18)10-25-17(11-26-2)23-12-24-25;1-27-16-14(12-3-2-4-13(8-12)28-17(19)20)7-11(9-24-16)10-26-15(5-6-25-26)18(21,22)23;17-15(18)26-14-13(4-10(6-23-14)7-25-9-22-8-24-25)11-2-1-3-12(5-11)27-16(19,20)21;1-23-16-14(12-3-2-4-13(6-12)15(17)18)5-11(7-20-16)8-22-10-19-9-21-22;1-11-3-2-4-13(5-11)14-6-12(8-22-10-19-9-21-22)7-20-15(14)23-16(17)18;1-12-4-3-5-14(6-12)15-7-13(8-18-16(15)21-2)9-20-11-17-10-19-20;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/h4-9,12,19H,3,10-11H2,1-2H3;2-9,17H,10H2,1H3;1-6,8-9,15H,7H2;2-7,9-10,15H,8H2,1H3;2-7,9-10,16H,8H2,1H3;3-8,10-11H,9H2,1-2H3;1-6,8-9,15H,7H2
InChIKeyMZPFEHIPFBJXOS-UHFFFAOYSA-N
MW2409.22 g/mol
LogP24.51
Rot. Bonds40

About 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine

2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine (PubChem CID 159717328) has the molecular formula C116H100F19N27O11 and a molecular weight of 2409.22 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine
PubChem CID159717328
Molecular FormulaC116H100F19N27O11
Molecular Weight2409.22 g/mol
Exact Mass2407.78
IUPAC Name2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine
SMILESCCOc1ncc(Cn2ncnc2COC)cc1-c1cccc(OC(F)F)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(C(F)F)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(C)c1.COc1ncc(Cn2nccc2C(F)(F)F)cc1-c1cccc(OC(F)F)c1.Cc1cccc(-c2cc(Cn3cncn3)cnc2OC(F)F)c1.FC(F)Oc1ncc(Cn2cncn2)cc1-c1cccc(OC(F)(F)F)c1.Fc1cccc(-c2cc(Cn3cncn3)cnc2OC(F)F)c1
InChIInChI=1S/C19H20F2N4O3.C18H14F5N3O2.C16H11F5N4O2.2C16H14F2N4O.C16H16N4O.C15H11F3N4O/c1-3-27-18-16(14-5-4-6-15(8-14)28-19(20)21)7-13(9-22-18)10-25-17(11-26-2)23-12-24-25;1-27-16-14(12-3-2-4-13(8-12)28-17(19)20)7-11(9-24-16)10-26-15(5-6-25-26)18(21,22)23;17-15(18)26-14-13(4-10(6-23-14)7-25-9-22-8-24-25)11-2-1-3-12(5-11)27-16(19,20)21;1-23-16-14(12-3-2-4-13(6-12)15(17)18)5-11(7-20-16)8-22-10-19-9-21-22;1-11-3-2-4-13(5-11)14-6-12(8-22-10-19-9-21-22)7-20-15(14)23-16(17)18;1-12-4-3-5-14(6-12)15-7-13(8-18-16(15)21-2)9-20-11-17-10-19-20;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/h4-9,12,19H,3,10-11H2,1-2H3;2-9,17H,10H2,1H3;1-6,8-9,15H,7H2;2-7,9-10,15H,8H2,1H3;2-7,9-10,16H,8H2,1H3;3-8,10-11H,9H2,1-2H3;1-6,8-9,15H,7H2
InChIKeyMZPFEHIPFBJXOS-UHFFFAOYSA-N
XLogP24.51
TPSA393.84 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002409.22
LogP ≤ 524.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The IUPAC name of 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine (CID 159717328) is 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The canonical SMILES for 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine is CCOc1ncc(Cn2ncnc2COC)cc1-c1cccc(OC(F)F)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(C(F)F)c1.COc1ncc(Cn2cncn2)cc1-c1cccc(C)c1.COc1ncc(Cn2nccc2C(F)(F)F)cc1-c1cccc(OC(F)F)c1.Cc1cccc(-c2cc(Cn3cncn3)cnc2OC(F)F)c1.FC(F)Oc1ncc(Cn2cncn2)cc1-c1cccc(OC(F)(F)F)c1.Fc1cccc(-c2cc(Cn3cncn3)cnc2OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The InChIKey is MZPFEHIPFBJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3.C18H14F5N3O2.C16H11F5N4O2.2C16H14F2N4O.C16H16N4O.C15H11F3N4O/c1-3-27-18-16(14-5-4-6-15(8-14)28-19(20)21)7-13(9-22-18)10-25-17(11-26-2)23-12-24-25;1-27-16-14(12-3-2-4-13(8-12)28-17(19)20)7-11(9-24-16)10-26-15(5-6-25-26)18(21,22)23;17-15(18)26-14-13(4-10(6-23-14)7-25-9-22-8-24-25)11-2-1-3-12(5-11)27-16(19,20)21;1-23-16-14(12-3-2-4-13(6-12)15(17)18)5-11(7-20-16)8-22-10-19-9-21-22;1-11-3-2-4-13(5-11)14-6-12(8-22-10-19-9-21-22)7-20-15(14)23-16(17)18;1-12-4-3-5-14(6-12)15-7-13(8-18-16(15)21-2)9-20-11-17-10-19-20;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/h4-9,12,19H,3,10-11H2,1-2H3;2-9,17H,10H2,1H3;1-6,8-9,15H,7H2;2-7,9-10,15H,8H2,1H3;2-7,9-10,16H,8H2,1H3;3-8,10-11H,9H2,1-2H3;1-6,8-9,15H,7H2.
What are the key properties of 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine?
2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine has a molecular weight of 2409.22 g/mol, XLogP of 24.51, 40 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-(3-fluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-(difluoromethoxy)-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine;2-(difluoromethoxy)-5-(1,2,4-triazol-1-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyridine;3-[3-(difluoromethyl)phenyl]-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine;2-methoxy-3-(3-methylphenyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine is sourced from PubChem (CID 159717328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).