2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole

C136H129B2Br6N21O9 — CID 158711045

About 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole

2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole (PubChem CID 158711045) has the molecular formula C136H129B2Br6N21O9 and a molecular weight of 2702.71 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole.

Molecular Properties

• Compound Name: 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole
• PubChem CID: 158711045
• Molecular Formula: C136H129B2Br6N21O9
• Molecular Weight: 2702.71 g/mol
• Exact Mass: 2695.56
• IUPAC Name: 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole
• SMILES: Brc1cnc2c(c1)CCCN2.Brc1cncc(-c2cc3ccccc3[nH]2)c1.Brc1cncc(Br)c1.CC(C)(C)OC(=O)n1c(-c2cncc(Br)c2)cc2ccccc21.CC(C)(C)OC(=O)n1c(B(O)O)cc2ccccc21.Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4)c2)cc2ccccc21.Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)cc2ccccc21.Cn1c(-c2cncc(B3OC(C)(C)C(C)(C)O3)c2)cc2ccccc21.Cn1c(-c2cncc(Br)c2)cc2ccccc21
• InChI: InChI=1S/C23H21N5O.C22H20N4.C20H23BN2O2.C18H17BrN2O2.C14H11BrN2.C13H16BNO4.C13H9BrN2.C8H9BrN2.C5H3Br2N/c1-27-20-7-3-2-5-15(20)11-21(27)19-10-17(12-25-13-19)18-9-16-6-4-8-28(23(24)29)22(16)26-14-18;1-26-20-7-3-2-5-15(20)11-21(26)19-10-17(12-23-13-19)18-9-16-6-4-8-24-22(16)25-14-18;1-19(2)20(3,4)25-21(24-19)16-10-15(12-22-13-16)18-11-14-8-6-7-9-17(14)23(18)5;1-18(2,3)23-17(22)21-15-7-5-4-6-12(15)9-16(21)13-8-14(19)11-20-10-13;1-17-13-5-3-2-4-10(13)7-14(17)11-6-12(15)9-16-8-11;1-13(2,3)19-12(16)15-10-7-5-4-6-9(10)8-11(15)14(17)18;14-11-5-10(7-15-8-11)13-6-9-3-1-2-4-12(9)16-13;9-7-4-6-2-1-3-10-8(6)11-5-7;6-4-1-5(7)3-8-2-4/h2-3,5,7,9-14H,4,6,8H2,1H3,(H2,24,29);2-3,5,7,9-14H,4,6,8H2,1H3,(H,24,25);6-13H,1-5H3;4-11H,1-3H3;2-9H,1H3;4-8,17-18H,1-3H3;1-8,16H;4-5H,1-3H2,(H,10,11);1-3H
• InChIKey: IISJJNSWZMHWBS-UHFFFAOYSA-N
• XLogP: 31.49
• TPSA: 356.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 10
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2702.71
LogP ≤ 5	31.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole?

The IUPAC name of 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole (CID 158711045) is 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole.

What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole?

The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole is Brc1cnc2c(c1)CCCN2.Brc1cncc(-c2cc3ccccc3[nH]2)c1.Brc1cncc(Br)c1.CC(C)(C)OC(=O)n1c(-c2cncc(Br)c2)cc2ccccc21.CC(C)(C)OC(=O)n1c(B(O)O)cc2ccccc21.Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4)c2)cc2ccccc21.Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)cc2ccccc21.Cn1c(-c2cncc(B3OC(C)(C)C(C)(C)O3)c2)cc2ccccc21.Cn1c(-c2cncc(Br)c2)cc2ccccc21.

What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole?

The InChIKey is IISJJNSWZMHWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C22H20N4.C20H23BN2O2.C18H17BrN2O2.C14H11BrN2.C13H16BNO4.C13H9BrN2.C8H9BrN2.C5H3Br2N/c1-27-20-7-3-2-5-15(20)11-21(27)19-10-17(12-25-13-19)18-9-16-6-4-8-28(23(24)29)22(16)26-14-18;1-26-20-7-3-2-5-15(20)11-21(26)19-10-17(12-23-13-19)18-9-16-6-4-8-24-22(16)25-14-18;1-19(2)20(3,4)25-21(24-19)16-10-15(12-22-13-16)18-11-14-8-6-7-9-17(14)23(18)5;1-18(2,3)23-17(22)21-15-7-5-4-6-12(15)9-16(21)13-8-14(19)11-20-10-13;1-17-13-5-3-2-4-10(13)7-14(17)11-6-12(15)9-16-8-11;1-13(2,3)19-12(16)15-10-7-5-4-6-9(10)8-11(15)14(17)18;14-11-5-10(7-15-8-11)13-6-9-3-1-2-4-12(9)16-13;9-7-4-6-2-1-3-10-8(6)11-5-7;6-4-1-5(7)3-8-2-4/h2-3,5,7,9-14H,4,6,8H2,1H3,(H2,24,29);2-3,5,7,9-14H,4,6,8H2,1H3,(H,24,25);6-13H,1-5H3;4-11H,1-3H3;2-9H,1H3;4-8,17-18H,1-3H3;1-8,16H;4-5H,1-3H2,(H,10,11);1-3H.

What are the key properties of 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole?

2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole has a molecular weight of 2702.71 g/mol, XLogP of 31.49, 10 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole is sourced from PubChem (CID 158711045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).