8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine

C115H116F9N10O5+5 — CID 161229881

About 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine

8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 161229881) has the molecular formula C115H116F9N10O5+5 and a molecular weight of 1889.24 g/mol. Its IUPAC name is 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 161229881
• Molecular Formula: C115H116F9N10O5+5
• Molecular Weight: 1889.24 g/mol
• Exact Mass: 1887.90
• IUPAC Name: 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1cc(-c2c(C)cc(C)c3c2oc2nc(F)cc(F)c23)[n+](C)cc1C(C)C.Cc1cc(-c2c(C)cc(C)c3c2oc2nc(F)ccc23)[n+](C)cc1C(C)C.Cc1cc(-c2c(C)cc(F)c3c2oc2nc(F)c(C)cc23)[n+](C)cc1C(C)C.Cc1cc(-c2c(C)cc(F)c3c2oc2nc(F)cc(C)c23)[n+](C)cc1C(C)C.Cc1cc(-c2c(C)ccc3c2oc2nc(F)c(C)c(F)c23)[n+](C)cc1C(C)C
• InChI: InChI=1S/4C23H23F2N2O.C23H24FN2O/c1-11(2)16-10-27(6)18(9-12(16)3)19-13(4)8-17(24)20-15-7-14(5)22(25)26-23(15)28-21(19)20;1-11(2)15-10-27(6)17(8-12(15)3)19-13(4)7-16(24)21-20-14(5)9-18(25)26-23(20)28-22(19)21;1-11(2)15-10-27(6)17(8-12(15)3)19-13(4)7-14(5)20-21-16(24)9-18(25)26-23(21)28-22(19)20;1-11(2)16-10-27(6)17(9-13(16)4)18-12(3)7-8-15-19-20(24)14(5)22(25)26-23(19)28-21(15)18;1-12(2)17-11-26(6)18(10-13(17)3)21-15(5)9-14(4)20-16-7-8-19(24)25-23(16)27-22(20)21/h4*7-11H,1-6H3;7-12H,1-6H3/q5*+1
• InChIKey: GUKVFZROQUZQTL-UHFFFAOYSA-N
• XLogP: 28.86
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1889.24
LogP ≤ 5	28.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 161229881) is 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2c(C)cc(C)c3c2oc2nc(F)cc(F)c23)[n+](C)cc1C(C)C.Cc1cc(-c2c(C)cc(C)c3c2oc2nc(F)ccc23)[n+](C)cc1C(C)C.Cc1cc(-c2c(C)cc(F)c3c2oc2nc(F)c(C)cc23)[n+](C)cc1C(C)C.Cc1cc(-c2c(C)cc(F)c3c2oc2nc(F)cc(C)c23)[n+](C)cc1C(C)C.Cc1cc(-c2c(C)ccc3c2oc2nc(F)c(C)c(F)c23)[n+](C)cc1C(C)C.

What is the InChIKey of 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is GUKVFZROQUZQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H23F2N2O.C23H24FN2O/c1-11(2)16-10-27(6)18(9-12(16)3)19-13(4)8-17(24)20-15-7-14(5)22(25)26-23(15)28-21(19)20;1-11(2)15-10-27(6)17(8-12(15)3)19-13(4)7-16(24)21-20-14(5)9-18(25)26-23(20)28-22(19)21;1-11(2)15-10-27(6)17(8-12(15)3)19-13(4)7-14(5)20-21-16(24)9-18(25)26-23(21)28-22(19)20;1-11(2)16-10-27(6)17(9-13(16)4)18-12(3)7-8-15-19-20(24)14(5)22(25)26-23(19)28-21(15)18;1-12(2)17-11-26(6)18(10-13(17)3)21-15(5)9-14(4)20-16-7-8-19(24)25-23(16)27-22(20)21/h4*7-11H,1-6H3;7-12H,1-6H3/q5*+1.

What are the key properties of 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine?

8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1889.24 g/mol, XLogP of 28.86, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,4-difluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-3,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2,5-difluoro-4,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-2-fluoro-5,7-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 161229881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).