sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite

C72H93Br4Cl3FN16NaO15Si3 — CID 159062220

About sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite

sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite (PubChem CID 159062220) has the molecular formula C72H93Br4Cl3FN16NaO15Si3 and a molecular weight of 1974.85 g/mol. Its IUPAC name is sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite.

Molecular Properties

• Compound Name: sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite
• PubChem CID: 159062220
• Molecular Formula: C72H93Br4Cl3FN16NaO15Si3
• Molecular Weight: 1974.85 g/mol
• Exact Mass: 1968.20
• IUPAC Name: sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite
• SMILES: Brc1cnc2[nH]ccc2n1.CC(Oc1cnc2c(n1)c(C=O)cn2COCC[Si](C)(C)C)c1c(OCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc(F)c1Cl.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21.O=Cc1c[nH]c2ncc(Br)nc12.OCc1c[nH]c2ncc(Br)nc12.[Na+].[O-][Cl+][O-]
• InChI: InChI=1S/C33H46ClFN4O8Si.C13H18BrN3O2Si.C7H6BrN3O.C7H4BrN3O.C6H4BrN3.C6H15ClOSi.ClO2.Na/c1-21(45-25-17-36-29-28(37-25)22(19-40)18-38(29)20-43-15-16-48(8,9)10)26-24(12-11-23(35)27(26)34)44-14-13-39(30(41)46-32(2,3)4)31(42)47-33(5,6)7;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12;2*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;1-9(2,3)5-4-8-6-7;2-1-3;/h11-12,17-19,21H,13-16,20H2,1-10H3;6-8H,4-5,9H2,1-3H3;1-2,12H,3H2,(H,9,10);1-3H,(H,9,10);1-3H,(H,8,9);4-6H2,1-3H3;;/q;;;;;;-1;+1
• InChIKey: JYPOOMGGSQXMAC-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 405.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1974.85
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite?

The IUPAC name of sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite (CID 159062220) is sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite.

What is the SMILES notation for sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite?

The canonical SMILES for sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite is Brc1cnc2[nH]ccc2n1.CC(Oc1cnc2c(n1)c(C=O)cn2COCC[Si](C)(C)C)c1c(OCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc(F)c1Cl.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21.O=Cc1c[nH]c2ncc(Br)nc12.OCc1c[nH]c2ncc(Br)nc12.[Na+].[O-][Cl+][O-].

What is the InChIKey of sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite?

The InChIKey is JYPOOMGGSQXMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46ClFN4O8Si.C13H18BrN3O2Si.C7H6BrN3O.C7H4BrN3O.C6H4BrN3.C6H15ClOSi.ClO2.Na/c1-21(45-25-17-36-29-28(37-25)22(19-40)18-38(29)20-43-15-16-48(8,9)10)26-24(12-11-23(35)27(26)34)44-14-13-39(30(41)46-32(2,3)4)31(42)47-33(5,6)7;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12;2*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;1-9(2,3)5-4-8-6-7;2-1-3;/h11-12,17-19,21H,13-16,20H2,1-10H3;6-8H,4-5,9H2,1-3H3;1-2,12H,3H2,(H,9,10);1-3H,(H,9,10);1-3H,(H,8,9);4-6H2,1-3H3;;/q;;;;;;-1;+1.

What are the key properties of sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite?

sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite has a molecular weight of 1974.85 g/mol, XLogP of 12.99, 25 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;tert-butyl N-[2-[3-chloro-4-fluoro-2-[1-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyethyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;chlorite is sourced from PubChem (CID 159062220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).