5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane

C77H77AlBBr4Cl4N23O4 — CID 162135740

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane

5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane (PubChem CID 162135740) has the molecular formula C77H77AlBBr4Cl4N23O4 and a molecular weight of 1887.84 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane
• PubChem CID: 162135740
• Molecular Formula: C77H77AlBBr4Cl4N23O4
• Molecular Weight: 1887.84 g/mol
• Exact Mass: 1881.19
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane
• SMILES: Brc1cnc2[nH]ccc2c1.CCC#CC(=O)Cl.CCC#CC(=O)c1c[nH]c2ncc(Br)cc12.CCc1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1.CCc1cc(-c2c[nH]c3ncc(Br)cc23)nc(N)n1.CCc1cc(-c2c[nH]c3ncc(Br)cc23)nc(N)n1.Cl[Al](Cl)Cl.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C17H17N7.2C13H12BrN5.C12H9BrN2O.C10H17BN2O2.C7H5BrN2.C5H5ClO.Al.3ClH/c1-3-12-5-15(23-17(18)22-12)14-8-20-16-13(14)4-10(6-19-16)11-7-21-24(2)9-11;2*1-2-8-4-11(19-13(15)18-8)10-6-17-12-9(10)3-7(14)5-16-12;1-2-3-4-11(16)10-7-15-12-9(10)5-8(13)6-14-12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;8-6-3-5-1-2-9-7(5)10-4-6;1-2-3-4-5(6)7;;;;/h4-9H,3H2,1-2H3,(H,19,20)(H2,18,22,23);2*3-6H,2H2,1H3,(H,16,17)(H2,15,18,19);5-7H,2H2,1H3,(H,14,15);6-7H,1-5H3;1-4H,(H,9,10);2H2,1H3;;3*1H/q;;;;;;;+3;;;/p-3
• InChIKey: ZJGIZPOASYJHGC-UHFFFAOYSA-K
• XLogP: 17.24
• TPSA: 387.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1887.84
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane (CID 162135740) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane.

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane is Brc1cnc2[nH]ccc2c1.CCC#CC(=O)Cl.CCC#CC(=O)c1c[nH]c2ncc(Br)cc12.CCc1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1.CCc1cc(-c2c[nH]c3ncc(Br)cc23)nc(N)n1.CCc1cc(-c2c[nH]c3ncc(Br)cc23)nc(N)n1.Cl[Al](Cl)Cl.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane?

The InChIKey is ZJGIZPOASYJHGC-UHFFFAOYSA-K. The full InChI is InChI=1S/C17H17N7.2C13H12BrN5.C12H9BrN2O.C10H17BN2O2.C7H5BrN2.C5H5ClO.Al.3ClH/c1-3-12-5-15(23-17(18)22-12)14-8-20-16-13(14)4-10(6-19-16)11-7-21-24(2)9-11;2*1-2-8-4-11(19-13(15)18-8)10-6-17-12-9(10)3-7(14)5-16-12;1-2-3-4-11(16)10-7-15-12-9(10)5-8(13)6-14-12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;8-6-3-5-1-2-9-7(5)10-4-6;1-2-3-4-5(6)7;;;;/h4-9H,3H2,1-2H3,(H,19,20)(H2,18,22,23);2*3-6H,2H2,1H3,(H,16,17)(H2,15,18,19);5-7H,2H2,1H3,(H,14,15);6-7H,1-5H3;1-4H,(H,9,10);2H2,1H3;;3*1H/q;;;;;;;+3;;;/p-3.

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane?

5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane has a molecular weight of 1887.84 g/mol, XLogP of 17.24, 9 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;bis(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine);1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;4-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pent-2-ynoyl chloride;trichloroalumane is sourced from PubChem (CID 162135740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).