[1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate

C103H58F18N6O23S7 — CID 161437358

About [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate

[1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate (PubChem CID 161437358) has the molecular formula C103H58F18N6O23S7 and a molecular weight of 2314.05 g/mol. Its IUPAC name is [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate.

Molecular Properties

• Compound Name: [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate
• PubChem CID: 161437358
• Molecular Formula: C103H58F18N6O23S7
• Molecular Weight: 2314.05 g/mol
• Exact Mass: 2312.13
• IUPAC Name: [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate
• SMILES: Cc1cccc(-c2ccnc3c2oc2c(OS(=O)(=O)C(F)(F)F)cc(-c4ccccc4)cc23)c1.O=S(=O)(Oc1cc(-c2ccccc2)cc2c1oc1cccnc12)C(F)(F)F.O=S(=O)(Oc1cccc2c1oc1c(-c3ccccc3)ccnc12)C(F)(F)F.O=S(=O)(Oc1cccc2c1oc1ccc(-c3ccccc3)nc12)C(F)(F)F.O=S(=O)(Oc1cccc2c1oc1cccnc12)C(F)(F)F.O=S(=O)(Oc1cccc2c1sc1cccnc12)C(F)(F)F
• InChI: InChI=1S/C25H16F3NO4S.3C18H10F3NO4S.C12H6F3NO4S.C12H6F3NO3S2/c1-15-6-5-9-17(12-15)19-10-11-29-22-20-13-18(16-7-3-2-4-8-16)14-21(23(20)32-24(19)22)33-34(30,31)25(26,27)28;19-18(20,21)27(23,24)26-15-10-12(11-5-2-1-3-6-11)9-13-16-14(25-17(13)15)7-4-8-22-16;19-18(20,21)27(23,24)26-14-8-4-7-13-15-17(25-16(13)14)12(9-10-22-15)11-5-2-1-3-6-11;19-18(20,21)27(23,24)26-15-8-4-7-12-16-14(25-17(12)15)10-9-13(22-16)11-5-2-1-3-6-11;13-12(14,15)21(17,18)20-9-4-1-3-7-10-8(19-11(7)9)5-2-6-16-10;13-12(14,15)21(17,18)19-8-4-1-3-7-10-9(20-11(7)8)5-2-6-16-10/h2-14H,1H3;3*1-10H;2*1-6H
• InChIKey: VYVACSSOYZNNOB-UHFFFAOYSA-N
• XLogP: 28.37
• TPSA: 403.26 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2314.05
LogP ≤ 5	28.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate?

The IUPAC name of [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate (CID 161437358) is [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate.

What is the SMILES notation for [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate?

The canonical SMILES for [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate is Cc1cccc(-c2ccnc3c2oc2c(OS(=O)(=O)C(F)(F)F)cc(-c4ccccc4)cc23)c1.O=S(=O)(Oc1cc(-c2ccccc2)cc2c1oc1cccnc12)C(F)(F)F.O=S(=O)(Oc1cccc2c1oc1c(-c3ccccc3)ccnc12)C(F)(F)F.O=S(=O)(Oc1cccc2c1oc1ccc(-c3ccccc3)nc12)C(F)(F)F.O=S(=O)(Oc1cccc2c1oc1cccnc12)C(F)(F)F.O=S(=O)(Oc1cccc2c1sc1cccnc12)C(F)(F)F.

What is the InChIKey of [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate?

The InChIKey is VYVACSSOYZNNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3NO4S.3C18H10F3NO4S.C12H6F3NO4S.C12H6F3NO3S2/c1-15-6-5-9-17(12-15)19-10-11-29-22-20-13-18(16-7-3-2-4-8-16)14-21(23(20)32-24(19)22)33-34(30,31)25(26,27)28;19-18(20,21)27(23,24)26-15-10-12(11-5-2-1-3-6-11)9-13-16-14(25-17(13)15)7-4-8-22-16;19-18(20,21)27(23,24)26-14-8-4-7-13-15-17(25-16(13)14)12(9-10-22-15)11-5-2-1-3-6-11;19-18(20,21)27(23,24)26-15-8-4-7-12-16-14(25-17(12)15)10-9-13(22-16)11-5-2-1-3-6-11;13-12(14,15)21(17,18)20-9-4-1-3-7-10-8(19-11(7)9)5-2-6-16-10;13-12(14,15)21(17,18)19-8-4-1-3-7-10-9(20-11(7)8)5-2-6-16-10/h2-14H,1H3;3*1-10H;2*1-6H.

What are the key properties of [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate?

[1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate has a molecular weight of 2314.05 g/mol, XLogP of 28.37, 17 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [1]benzofuro[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[1]benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate;[4-(3-methylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl] trifluoromethanesulfonate;(2-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate;(8-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl) trifluoromethanesulfonate is sourced from PubChem (CID 161437358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).