2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C102H99N10O5+5 — CID 157094859

About 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 157094859) has the molecular formula C102H99N10O5+5 and a molecular weight of 1544.98 g/mol. Its IUPAC name is 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 157094859
• Molecular Formula: C102H99N10O5+5
• Molecular Weight: 1544.98 g/mol
• Exact Mass: 1543.78
• IUPAC Name: 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3cccc[n+]3C)c(C)ccc12.Cc1ccc2c(oc3nc(C(C)(C)C)ccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3nc(CC(C)C)ccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cccc[n+]1C
• InChI: InChI=1S/2C22H23N2O.C21H21N2O.C19H17N2O.C18H15N2O/c1-14-9-10-15-16-11-12-18(22(2,3)4)23-21(16)25-20(15)19(14)17-8-6-7-13-24(17)5;1-14(2)13-16-9-11-18-17-10-8-15(3)20(21(17)25-22(18)23-16)19-7-5-6-12-24(19)4;1-13(2)17-11-10-16-15-9-8-14(3)19(20(15)24-21(16)22-17)18-7-5-6-12-23(18)4;1-12-7-9-14-15-10-8-13(2)20-19(15)22-18(14)17(12)16-6-4-5-11-21(16)3;1-12-8-9-13-14-6-5-10-19-18(14)21-17(13)16(12)15-7-3-4-11-20(15)2/h6-13H,1-5H3;5-12,14H,13H2,1-4H3;5-13H,1-4H3;4-11H,1-3H3;3-11H,1-2H3/q5*+1
• InChIKey: HZWSWTVFUGCUGL-UHFFFAOYSA-N
• XLogP: 22.83
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1544.98
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 157094859) is 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cccc[n+]3C)c(C)ccc12.Cc1ccc2c(oc3nc(C(C)(C)C)ccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3nc(CC(C)C)ccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cccc[n+]1C.

What is the InChIKey of 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is HZWSWTVFUGCUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23N2O.C21H21N2O.C19H17N2O.C18H15N2O/c1-14-9-10-15-16-11-12-18(22(2,3)4)23-21(16)25-20(15)19(14)17-8-6-7-13-24(17)5;1-14(2)13-16-9-11-18-17-10-8-15(3)20(21(17)25-22(18)23-16)19-7-5-6-12-24(19)4;1-13(2)17-11-10-16-15-9-8-14(3)19(20(15)24-21(16)22-17)18-7-5-6-12-23(18)4;1-12-7-9-14-15-10-8-13(2)20-19(15)22-18(14)17(12)16-6-4-5-11-21(16)3;1-12-8-9-13-14-6-5-10-19-18(14)21-17(13)16(12)15-7-3-4-11-20(15)2/h6-13H,1-5H3;5-12,14H,13H2,1-4H3;5-13H,1-4H3;4-11H,1-3H3;3-11H,1-2H3/q5*+1.

What are the key properties of 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1544.98 g/mol, XLogP of 22.83, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-2-(2-methylpropyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 157094859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).