acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile

C61H85BrCl2F2IN8PdSi2Sn- — CID 157344880

About acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile

acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile (PubChem CID 157344880) has the molecular formula C61H85BrCl2F2IN8PdSi2Sn- and a molecular weight of 1527.42 g/mol. Its IUPAC name is acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile.

Molecular Properties

• Compound Name: acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile
• PubChem CID: 157344880
• Molecular Formula: C61H85BrCl2F2IN8PdSi2Sn-
• Molecular Weight: 1527.42 g/mol
• Exact Mass: 1525.21
• IUPAC Name: acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile
• SMILES: C#N.CC#N.CC(C)(C)[Si](C)(C)n1ccc2cc(Br)cnc21.CCCC[Sn](CCCC)(CCCC)c1cnc2c(ccn2[Si](C)(C)C(C)(C)C)c1.Cl[Pd]Cl.Fc1ccccc1-c1cnc2[nH]ccc2c1.Fc1ccccc1I.[CH3-]
• InChI: InChI=1S/C13H19BrN2Si.C13H9FN2.C13H19N2Si.C6H4FI.3C4H9.C2H3N.CHN.CH3.2ClH.Pd.Sn/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;14-12-4-2-1-3-11(12)10-7-9-5-6-15-13(9)16-8-10;1-13(2,3)16(4,5)15-10-8-11-7-6-9-14-12(11)15;7-5-3-1-2-4-6(5)8;3*1-3-4-2;1-2-3;1-2;;;;;/h6-9H,1-5H3;1-8H,(H,15,16);7-10H,1-5H3;1-4H;3*1,3-4H2,2H3;1H3;1H;1H3;2*1H;;/q;;;;;;;;;-1;;;+2;/p-2
• InChIKey: GATUTOFHBXQUJR-UHFFFAOYSA-L
• XLogP: 20.89
• TPSA: 111.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1527.42
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile?

The IUPAC name of acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile (CID 157344880) is acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile.

What is the SMILES notation for acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile?

The canonical SMILES for acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile is C#N.CC#N.CC(C)(C)[Si](C)(C)n1ccc2cc(Br)cnc21.CCCC[Sn](CCCC)(CCCC)c1cnc2c(ccn2[Si](C)(C)C(C)(C)C)c1.Cl[Pd]Cl.Fc1ccccc1-c1cnc2[nH]ccc2c1.Fc1ccccc1I.[CH3-].

What is the InChIKey of acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile?

The InChIKey is GATUTOFHBXQUJR-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H19BrN2Si.C13H9FN2.C13H19N2Si.C6H4FI.3C4H9.C2H3N.CHN.CH3.2ClH.Pd.Sn/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;14-12-4-2-1-3-11(12)10-7-9-5-6-15-13(9)16-8-10;1-13(2,3)16(4,5)15-10-8-11-7-6-9-14-12(11)15;7-5-3-1-2-4-6(5)8;3*1-3-4-2;1-2-3;1-2;;;;;/h6-9H,1-5H3;1-8H,(H,15,16);7-10H,1-5H3;1-4H;3*1,3-4H2,2H3;1H3;1H;1H3;2*1H;;/q;;;;;;;;;-1;;;+2;/p-2.

What are the key properties of acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile?

acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile has a molecular weight of 1527.42 g/mol, XLogP of 20.89, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile is sourced from PubChem (CID 157344880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).