sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide

C59H62BrN6NaO4S3Sn — CID 159537006

About sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide

sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide (PubChem CID 159537006) has the molecular formula C59H62BrN6NaO4S3Sn and a molecular weight of 1236.99 g/mol. Its IUPAC name is sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide.

Molecular Properties

• Compound Name: sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide
• PubChem CID: 159537006
• Molecular Formula: C59H62BrN6NaO4S3Sn
• Molecular Weight: 1236.99 g/mol
• Exact Mass: 1236.21
• IUPAC Name: sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cccs1.Cn1cc(-c2ccoc2)c2cc(-c3cccs3)cnc21.Cn1cc(-c2ccoc2)c2cc(Br)cnc21.[Na+].[OH-].c1csc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1
• InChI: InChI=1S/C16H12N2OS.C15H10N2OS.C12H9BrN2O.C4H3S.3C4H9.Na.H2O.Sn/c1-18-9-14(11-4-5-19-10-11)13-7-12(8-17-16(13)18)15-3-2-6-20-15;1-2-14(19-5-1)11-6-12-13(10-3-4-18-9-10)8-17-15(12)16-7-11;1-15-6-11(8-2-3-16-7-8)10-4-9(13)5-14-12(10)15;1-2-4-5-3-1;3*1-3-4-2;;;/h2-10H,1H3;1-9H,(H,16,17);2-7H,1H3;1-3H;3*1,3-4H2,2H3;;1H2;/q;;;;;;;+1;;/p-1
• InChIKey: MDSJJTOUHURCFR-UHFFFAOYSA-M
• XLogP: 15.34
• TPSA: 133.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1236.99
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide?

The IUPAC name of sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide (CID 159537006) is sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide.

What is the SMILES notation for sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide?

The canonical SMILES for sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide is CCCC[Sn](CCCC)(CCCC)c1cccs1.Cn1cc(-c2ccoc2)c2cc(-c3cccs3)cnc21.Cn1cc(-c2ccoc2)c2cc(Br)cnc21.[Na+].[OH-].c1csc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.

What is the InChIKey of sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide?

The InChIKey is MDSJJTOUHURCFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12N2OS.C15H10N2OS.C12H9BrN2O.C4H3S.3C4H9.Na.H2O.Sn/c1-18-9-14(11-4-5-19-10-11)13-7-12(8-17-16(13)18)15-3-2-6-20-15;1-2-14(19-5-1)11-6-12-13(10-3-4-18-9-10)8-17-15(12)16-7-11;1-15-6-11(8-2-3-16-7-8)10-4-9(13)5-14-12(10)15;1-2-4-5-3-1;3*1-3-4-2;;;/h2-10H,1H3;1-9H,(H,16,17);2-7H,1H3;1-3H;3*1,3-4H2,2H3;;1H2;/q;;;;;;;+1;;/p-1.

What are the key properties of sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide?

sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide has a molecular weight of 1236.99 g/mol, XLogP of 15.34, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-bromo-3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-methyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane;hydroxide is sourced from PubChem (CID 159537006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).