2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine

C96H69F6N10O5S3+5 — CID 159494930

About 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine

2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 159494930) has the molecular formula C96H69F6N10O5S3+5 and a molecular weight of 1652.86 g/mol. Its IUPAC name is 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 159494930
• Molecular Formula: C96H69F6N10O5S3+5
• Molecular Weight: 1652.86 g/mol
• Exact Mass: 1651.45
• IUPAC Name: 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1cc2c(cc1-c1sc3ccccc3[n+]1C)oc1nc(F)ccc12.Cc1cc2oc3nc(F)ccc3c2cc1-c1sc2ccccc2[n+]1C.Cc1ccc2c(oc3nc(F)cc(F)c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3nc(F)ccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3nc(F)ccc32)c1-c1sc2ccccc2[n+]1C
• InChI: InChI=1S/3C20H14FN2OS.C18H13F2N2O.C18H14FN2O/c1-11-9-16-14(12-7-8-18(21)22-19(12)24-16)10-13(11)20-23(2)15-5-3-4-6-17(15)25-20;1-11-9-14-12-7-8-18(21)22-19(12)24-16(14)10-13(11)20-23(2)15-5-3-4-6-17(15)25-20;1-11-7-8-12-13-9-10-16(21)22-19(13)24-18(12)17(11)20-23(2)14-5-3-4-6-15(14)25-20;1-10-6-7-11-16-12(19)9-14(20)21-18(16)23-17(11)15(10)13-5-3-4-8-22(13)2;1-11-6-7-12-13-8-9-15(19)20-18(13)22-17(12)16(11)14-5-3-4-10-21(14)2/h3*3-10H,1-2H3;3-9H,1-2H3;3-10H,1-2H3/q5*+1
• InChIKey: VQOIRBTYIUMPDJ-UHFFFAOYSA-N
• XLogP: 23.38
• TPSA: 149.55 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1652.86
LogP ≤ 5	23.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 159494930) is 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine is Cc1cc2c(cc1-c1sc3ccccc3[n+]1C)oc1nc(F)ccc12.Cc1cc2oc3nc(F)ccc3c2cc1-c1sc2ccccc2[n+]1C.Cc1ccc2c(oc3nc(F)cc(F)c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3nc(F)ccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3nc(F)ccc32)c1-c1sc2ccccc2[n+]1C.

What is the InChIKey of 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?

The InChIKey is VQOIRBTYIUMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H14FN2OS.C18H13F2N2O.C18H14FN2O/c1-11-9-16-14(12-7-8-18(21)22-19(12)24-16)10-13(11)20-23(2)15-5-3-4-6-17(15)25-20;1-11-9-14-12-7-8-18(21)22-19(12)24-16(14)10-13(11)20-23(2)15-5-3-4-6-17(15)25-20;1-11-7-8-12-13-9-10-16(21)22-19(13)24-18(12)17(11)20-23(2)14-5-3-4-6-15(14)25-20;1-10-6-7-11-16-12(19)9-14(20)21-18(16)23-17(11)15(10)13-5-3-4-8-22(13)2;1-11-6-7-12-13-8-9-15(19)20-18(13)22-17(12)16(11)14-5-3-4-10-21(14)2/h3*3-10H,1-2H3;3-9H,1-2H3;3-10H,1-2H3/q5*+1.

What are the key properties of 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?

2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1652.86 g/mol, XLogP of 23.38, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-6-methyl-7-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159494930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).