3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

C43H54BBr2IN8O2 — CID 157296815

About 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 157296815) has the molecular formula C43H54BBr2IN8O2 and a molecular weight of 1012.48 g/mol. Its IUPAC name is 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157296815
• Molecular Formula: C43H54BBr2IN8O2
• Molecular Weight: 1012.48 g/mol
• Exact Mass: 1010.19
• IUPAC Name: 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
• SMILES: Brc1c[nH]c2ncccc12.CC(C)I.CC(C)N1CC(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CC(C)n1cc(Br)c2cccnc21.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C16H25BN2O2.C10H11BrN2.C7H5BrN2.C7H6N2.C3H7I/c1-11(2)19-10-13(12-8-7-9-18-14(12)19)17-20-15(3,4)16(5,6)21-17;1-7(2)13-6-9(11)8-4-3-5-12-10(8)13;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3(2)4/h7-9,11,13H,10H2,1-6H3;3-7H,1-2H3;1-4H,(H,9,10);1-5H,(H,8,9);3H,1-2H3
• InChIKey: BBLCZBJKLXGTHL-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 109.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1012.48
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (CID 157296815) is 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is Brc1c[nH]c2ncccc12.CC(C)I.CC(C)N1CC(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CC(C)n1cc(Br)c2cccnc21.c1cnc2[nH]ccc2c1.

What is the InChIKey of 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is BBLCZBJKLXGTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O2.C10H11BrN2.C7H5BrN2.C7H6N2.C3H7I/c1-11(2)19-10-13(12-8-7-9-18-14(12)19)17-20-15(3,4)16(5,6)21-17;1-7(2)13-6-9(11)8-4-3-5-12-10(8)13;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3(2)4/h7-9,11,13H,10H2,1-6H3;3-7H,1-2H3;1-4H,(H,9,10);1-5H,(H,8,9);3H,1-2H3.

What are the key properties of 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1012.48 g/mol, XLogP of 12.12, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodopropane;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157296815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).