sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide

C69H69Br8Cl2N24NaO16SSi — CID 158239479

About sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide

sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide (PubChem CID 158239479) has the molecular formula C69H69Br8Cl2N24NaO16SSi and a molecular weight of 2283.74 g/mol. Its IUPAC name is sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide.

Molecular Properties

• Compound Name: sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide
• PubChem CID: 158239479
• Molecular Formula: C69H69Br8Cl2N24NaO16SSi
• Molecular Weight: 2283.74 g/mol
• Exact Mass: 2273.76
• IUPAC Name: sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide
• SMILES: Brc1cnc2[nH]ccc2n1.C1CCOC1.CO.COC(=O)c1c[nH]c2ncc(Br)nc12.COC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.O=C(O)c1c[nH]c2ncc(Br)nc12.O=Cc1c[nH]c2ncc(Br)nc12.O=Cc1c[nH]c2ncc(Br)nc12.O=S(Cl)Cl.OCc1c[nH]c2ncc(Br)nc12.OCc1cn(CO)c2ncc(Br)nc12.[Na+].[OH-]
• InChI: InChI=1S/C14H20BrN3O3Si.C8H8BrN3O2.C8H6BrN3O2.C7H4BrN3O2.C7H6BrN3O.2C7H4BrN3O.C6H4BrN3.C4H8O.CH4O.Cl2OS.Na.H2O/c1-20-14(19)10-8-18(9-21-5-6-22(2,3)4)13-12(10)17-11(15)7-16-13;9-6-1-10-8-7(11-6)5(3-13)2-12(8)4-14;1-14-8(13)4-2-10-7-6(4)12-5(9)3-11-7;8-4-2-10-6-5(11-4)3(1-9-6)7(12)13;3*8-5-2-10-7-6(11-5)4(3-12)1-9-7;7-5-3-9-6-4(10-5)1-2-8-6;1-2-4-5-3-1;1-2;1-4(2)3;;/h7-8H,5-6,9H2,1-4H3;1-2,13-14H,3-4H2;2-3H,1H3,(H,10,11);1-2H,(H,9,10)(H,12,13);1-2,12H,3H2,(H,9,10);2*1-3H,(H,9,10);1-3H,(H,8,9);1-4H2;2H,1H3;;;1H2/q;;;;;;;;;;;+1;/p-1
• InChIKey: GFJGWSDNIJUXDS-UHFFFAOYSA-M
• XLogP: 11.13
• TPSA: 581.33 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2283.74
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide?

The IUPAC name of sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide (CID 158239479) is sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide.

What is the SMILES notation for sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide?

The canonical SMILES for sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide is Brc1cnc2[nH]ccc2n1.C1CCOC1.CO.COC(=O)c1c[nH]c2ncc(Br)nc12.COC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.O=C(O)c1c[nH]c2ncc(Br)nc12.O=Cc1c[nH]c2ncc(Br)nc12.O=Cc1c[nH]c2ncc(Br)nc12.O=S(Cl)Cl.OCc1c[nH]c2ncc(Br)nc12.OCc1cn(CO)c2ncc(Br)nc12.[Na+].[OH-].

What is the InChIKey of sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide?

The InChIKey is GFJGWSDNIJUXDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20BrN3O3Si.C8H8BrN3O2.C8H6BrN3O2.C7H4BrN3O2.C7H6BrN3O.2C7H4BrN3O.C6H4BrN3.C4H8O.CH4O.Cl2OS.Na.H2O/c1-20-14(19)10-8-18(9-21-5-6-22(2,3)4)13-12(10)17-11(15)7-16-13;9-6-1-10-8-7(11-6)5(3-13)2-12(8)4-14;1-14-8(13)4-2-10-7-6(4)12-5(9)3-11-7;8-4-2-10-6-5(11-4)3(1-9-6)7(12)13;3*8-5-2-10-7-6(11-5)4(3-12)1-9-7;7-5-3-9-6-4(10-5)1-2-8-6;1-2-4-5-3-1;1-2;1-4(2)3;;/h7-8H,5-6,9H2,1-4H3;1-2,13-14H,3-4H2;2-3H,1H3,(H,10,11);1-2H,(H,9,10)(H,12,13);1-2,12H,3H2,(H,9,10);2*1-3H,(H,9,10);1-3H,(H,8,9);1-4H2;2H,1H3;;;1H2/q;;;;;;;;;;;+1;/p-1.

What are the key properties of sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide?

sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide has a molecular weight of 2283.74 g/mol, XLogP of 11.13, 13 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine;bis(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde);2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;methanol;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;oxolane;thionyl dichloride;hydroxide is sourced from PubChem (CID 158239479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).