1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C88H83Br4F17N8 — CID 159221442

About 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 159221442) has the molecular formula C88H83Br4F17N8 and a molecular weight of 1895.27 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
• PubChem CID: 159221442
• Molecular Formula: C88H83Br4F17N8
• Molecular Weight: 1895.27 g/mol
• Exact Mass: 1890.32
• IUPAC Name: 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
• SMILES: CCC(F)(F)CN1C(C)Cc2c([nH]c3c(F)cccc23)C1c1c(F)cc(Br)cc1F.CCC(F)(F)CN1C(C)Cc2c([nH]c3cc(F)ccc23)C1c1c(F)cc(Br)cc1F.CCC(F)(F)CN1C(C)Cc2c([nH]c3cc(F)ccc23)C1c1ccc(Br)cc1.CCC(F)(F)CN1C(C)Cc2c([nH]c3cc(F)ccc23)C1c1ccc(Br)cc1F
• InChI: InChI=1S/2C22H20BrF5N2.C22H21BrF4N2.C22H22BrF3N2/c1-3-22(27,28)10-30-11(2)6-15-14-5-4-13(24)9-18(14)29-20(15)21(30)19-16(25)7-12(23)8-17(19)26;1-3-22(27,28)10-30-11(2)7-14-13-5-4-6-15(24)19(13)29-20(14)21(30)18-16(25)8-12(23)9-17(18)26;1-3-22(26,27)11-29-12(2)8-17-15-7-5-14(24)10-19(15)28-20(17)21(29)16-6-4-13(23)9-18(16)25;1-3-22(25,26)12-28-13(2)10-18-17-9-8-16(24)11-19(17)27-20(18)21(28)14-4-6-15(23)7-5-14/h4-5,7-9,11,21,29H,3,6,10H2,1-2H3;4-6,8-9,11,21,29H,3,7,10H2,1-2H3;4-7,9-10,12,21,28H,3,8,11H2,1-2H3;4-9,11,13,21,27H,3,10,12H2,1-2H3
• InChIKey: KRSXYFSBFQUTPM-UHFFFAOYSA-N
• XLogP: 26.50
• TPSA: 76.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1895.27
LogP ≤ 5	26.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 159221442) is 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCC(F)(F)CN1C(C)Cc2c([nH]c3c(F)cccc23)C1c1c(F)cc(Br)cc1F.CCC(F)(F)CN1C(C)Cc2c([nH]c3cc(F)ccc23)C1c1c(F)cc(Br)cc1F.CCC(F)(F)CN1C(C)Cc2c([nH]c3cc(F)ccc23)C1c1ccc(Br)cc1.CCC(F)(F)CN1C(C)Cc2c([nH]c3cc(F)ccc23)C1c1ccc(Br)cc1F.

What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The InChIKey is KRSXYFSBFQUTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20BrF5N2.C22H21BrF4N2.C22H22BrF3N2/c1-3-22(27,28)10-30-11(2)6-15-14-5-4-13(24)9-18(14)29-20(15)21(30)19-16(25)7-12(23)8-17(19)26;1-3-22(27,28)10-30-11(2)7-14-13-5-4-6-15(24)19(13)29-20(14)21(30)18-16(25)8-12(23)9-17(18)26;1-3-22(26,27)11-29-12(2)8-17-15-7-5-14(24)10-19(15)28-20(17)21(29)16-6-4-13(23)9-18(16)25;1-3-22(25,26)12-28-13(2)10-18-17-9-8-16(24)11-19(17)27-20(18)21(28)14-4-6-15(23)7-5-14/h4-5,7-9,11,21,29H,3,6,10H2,1-2H3;4-6,8-9,11,21,29H,3,7,10H2,1-2H3;4-7,9-10,12,21,28H,3,8,11H2,1-2H3;4-9,11,13,21,27H,3,10,12H2,1-2H3.

What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 1895.27 g/mol, XLogP of 26.50, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-8-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 159221442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).