5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc

C32H28Br10N8O4Zn — CID 159414385

About 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc

5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc (PubChem CID 159414385) has the molecular formula C32H28Br10N8O4Zn and a molecular weight of 1453.06 g/mol. Its IUPAC name is 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc.

Molecular Properties

• Compound Name: 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc
• PubChem CID: 159414385
• Molecular Formula: C32H28Br10N8O4Zn
• Molecular Weight: 1453.06 g/mol
• Exact Mass: 1441.34
• IUPAC Name: 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc
• SMILES: BrBr.BrBr.CC(C)(C)O.O=C1Cc2cc(Br)cnc2N1.O=C1Nc2ncc(Br)cc2C1(Br)Br.O=C1Nc2ncccc2C1(Br)Br.[Zn].c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C7H3Br3N2O.C7H4Br2N2O.C7H5BrN2O.C7H6N2.C4H10O.2Br2.Zn/c8-3-1-4-5(11-2-3)12-6(13)7(4,9)10;8-7(9)4-2-1-3-10-5(4)11-6(7)12;8-5-1-4-2-6(11)10-7(4)9-3-5;1-2-6-3-5-9-7(6)8-4-1;1-4(2,3)5;2*1-2;/h1-2H,(H,11,12,13);1-3H,(H,10,11,12);1,3H,2H2,(H,9,10,11);1-5H,(H,8,9);5H,1-3H3
• InChIKey: LOZBGPRGIGCGAO-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 174.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1453.06
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc?

The IUPAC name of 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc (CID 159414385) is 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc.

What is the SMILES notation for 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc?

The canonical SMILES for 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc is BrBr.BrBr.CC(C)(C)O.O=C1Cc2cc(Br)cnc2N1.O=C1Nc2ncc(Br)cc2C1(Br)Br.O=C1Nc2ncccc2C1(Br)Br.[Zn].c1cnc2[nH]ccc2c1.

What is the InChIKey of 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc?

The InChIKey is LOZBGPRGIGCGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br3N2O.C7H4Br2N2O.C7H5BrN2O.C7H6N2.C4H10O.2Br2.Zn/c8-3-1-4-5(11-2-3)12-6(13)7(4,9)10;8-7(9)4-2-1-3-10-5(4)11-6(7)12;8-5-1-4-2-6(11)10-7(4)9-3-5;1-2-6-3-5-9-7(6)8-4-1;1-4(2,3)5;2*1-2;/h1-2H,(H,11,12,13);1-3H,(H,10,11,12);1,3H,2H2,(H,9,10,11);1-5H,(H,8,9);5H,1-3H3;;;.

What are the key properties of 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc?

5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc has a molecular weight of 1453.06 g/mol, XLogP of 11.77, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one;2-methylpropan-2-ol;molecular bromine;1H-pyrrolo[2,3-b]pyridine;3,3,5-tribromo-1H-pyrrolo[2,3-b]pyridin-2-one;zinc is sourced from PubChem (CID 159414385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).