9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

C76H48Br3ClIN13O — CID 157170750

About 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (PubChem CID 157170750) has the molecular formula C76H48Br3ClIN13O and a molecular weight of 1561.38 g/mol. Its IUPAC name is 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.

Molecular Properties

• Compound Name: 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• PubChem CID: 157170750
• Molecular Formula: C76H48Br3ClIN13O
• Molecular Weight: 1561.38 g/mol
• Exact Mass: 1557.04
• IUPAC Name: 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• SMILES: Brc1ccc2c3ncccc3n3cccc3c2n1.Brc1cccc(-c2ccc[nH]2)n1.Brc1cccc(-n2c3ccccc3c3cccnc32)c1.Clc1ncccc1I.c1cc(Oc2ccc3c4ncccc4n4cccc4c3n2)cc(-n2c3ccccc3c3cccnc32)c1
• InChI: InChI=1S/C31H19N5O.C17H11BrN2.C14H8BrN3.C9H7BrN2.C5H3ClIN/c1-2-11-25-22(9-1)23-10-4-17-33-31(23)36(25)20-7-3-8-21(19-20)37-28-15-14-24-29-26(12-5-16-32-29)35-18-6-13-27(35)30(24)34-28;18-12-5-3-6-13(11-12)20-16-9-2-1-7-14(16)15-8-4-10-19-17(15)20;15-12-6-5-9-13-10(3-1-7-16-13)18-8-2-4-11(18)14(9)17-12;10-9-5-1-3-8(12-9)7-4-2-6-11-7;6-5-4(7)2-1-3-8-5/h1-19H;1-11H;1-8H;1-6,11H;1-3H
• InChIKey: ANKYNYWJKYGPKM-UHFFFAOYSA-N
• XLogP: 21.24
• TPSA: 146.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1561.38
LogP ≤ 5	21.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

The IUPAC name of 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 157170750) is 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.

What is the SMILES notation for 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

The canonical SMILES for 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is Brc1ccc2c3ncccc3n3cccc3c2n1.Brc1cccc(-c2ccc[nH]2)n1.Brc1cccc(-n2c3ccccc3c3cccnc32)c1.Clc1ncccc1I.c1cc(Oc2ccc3c4ncccc4n4cccc4c3n2)cc(-n2c3ccccc3c3cccnc32)c1.

What is the InChIKey of 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

The InChIKey is ANKYNYWJKYGPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5O.C17H11BrN2.C14H8BrN3.C9H7BrN2.C5H3ClIN/c1-2-11-25-22(9-1)23-10-4-17-33-31(23)36(25)20-7-3-8-21(19-20)37-28-15-14-24-29-26(12-5-16-32-29)35-18-6-13-27(35)30(24)34-28;18-12-5-3-6-13(11-12)20-16-9-2-1-7-14(16)15-8-4-10-19-17(15)20;15-12-6-5-9-13-10(3-1-7-16-13)18-8-2-4-11(18)14(9)17-12;10-9-5-1-3-8(12-9)7-4-2-6-11-7;6-5-4(7)2-1-3-8-5/h1-19H;1-11H;1-8H;1-6,11H;1-3H.

What are the key properties of 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene has a molecular weight of 1561.38 g/mol, XLogP of 21.24, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-bromophenyl)pyrido[2,3-b]indole;2-bromo-6-(1H-pyrrol-2-yl)pyridine;9-bromo-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2-chloro-3-iodopyridine;9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,8,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is sourced from PubChem (CID 157170750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).