6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne

C105H112BBrN24O9P2Si2 — CID 159854702

About 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne

6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne (PubChem CID 159854702) has the molecular formula C105H112BBrN24O9P2Si2 and a molecular weight of 2063.05 g/mol. Its IUPAC name is 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne.

Molecular Properties

• Compound Name: 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne
• PubChem CID: 159854702
• Molecular Formula: C105H112BBrN24O9P2Si2
• Molecular Weight: 2063.05 g/mol
• Exact Mass: 2060.73
• IUPAC Name: 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne
• SMILES: C.C#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC.CC1(C)OB(c2cn(COCC[Si](C)(C)C)c3ncnc(N4CCOCC4)c23)OC1(C)C.C[Si](C)(C)CCOCn1cc(-c2cccc(C#N)n2)c2c(N3CCOCC3)ncnc21.N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)n1.N#Cc1cccc(-c2cn(CO)c3ncnc(N4CCOCC4)c23)n1.N#Cc1cccc(Br)n1.PP
• InChI: InChI=1S/C22H37BN4O4Si.C22H28N6O2Si.C17H16N6O2.C16H14N6O.C11H4.C10H2.C6H3BrN2.CH4.H4P2/c1-21(2)22(3,4)31-23(30-21)17-14-27(16-29-12-13-32(5,6)7)20-18(17)19(24-15-25-20)26-8-10-28-11-9-26;1-31(2,3)12-11-30-16-28-14-18(19-6-4-5-17(13-23)26-19)20-21(24-15-25-22(20)28)27-7-9-29-10-8-27;18-8-12-2-1-3-14(21-12)13-9-23(11-24)17-15(13)16(19-10-20-17)22-4-6-25-7-5-22;17-8-11-2-1-3-13(21-11)12-9-18-15-14(12)16(20-10-19-15)22-4-6-23-7-5-22;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;7-6-3-1-2-5(4-8)9-6;;1-2/h14-15H,8-13,16H2,1-7H3;4-6,14-15H,7-12,16H2,1-3H3;1-3,9-10,24H,4-7,11H2;1-3,9-10H,4-7H2,(H,18,19,20);1H,2H3;1-2H;1-3H;1H4;1-2H2
• InChIKey: NQJLLDIFAQCLRH-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 387.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2063.05
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne?

The IUPAC name of 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne (CID 159854702) is 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne.

What is the SMILES notation for 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne?

The canonical SMILES for 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne is C.C#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC.CC1(C)OB(c2cn(COCC[Si](C)(C)C)c3ncnc(N4CCOCC4)c23)OC1(C)C.C[Si](C)(C)CCOCn1cc(-c2cccc(C#N)n2)c2c(N3CCOCC3)ncnc21.N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)n1.N#Cc1cccc(-c2cn(CO)c3ncnc(N4CCOCC4)c23)n1.N#Cc1cccc(Br)n1.PP.

What is the InChIKey of 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne?

The InChIKey is NQJLLDIFAQCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37BN4O4Si.C22H28N6O2Si.C17H16N6O2.C16H14N6O.C11H4.C10H2.C6H3BrN2.CH4.H4P2/c1-21(2)22(3,4)31-23(30-21)17-14-27(16-29-12-13-32(5,6)7)20-18(17)19(24-15-25-20)26-8-10-28-11-9-26;1-31(2,3)12-11-30-16-28-14-18(19-6-4-5-17(13-23)26-19)20-21(24-15-25-22(20)28)27-7-9-29-10-8-27;18-8-12-2-1-3-14(21-12)13-9-23(11-24)17-15(13)16(19-10-20-17)22-4-6-25-7-5-22;17-8-11-2-1-3-13(21-11)12-9-18-15-14(12)16(20-10-19-15)22-4-6-23-7-5-22;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;7-6-3-1-2-5(4-8)9-6;;1-2/h14-15H,8-13,16H2,1-7H3;4-6,14-15H,7-12,16H2,1-3H3;1-3,9-10,24H,4-7,11H2;1-3,9-10H,4-7H2,(H,18,19,20);1H,2H3;1-2H;1-3H;1H4;1-2H2.

What are the key properties of 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne?

6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne has a molecular weight of 2063.05 g/mol, XLogP of 13.19, 19 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromopyridine-2-carbonitrile;deca-1,3,5,7,9-pentayne;6-[7-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;methane;6-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-2-carbonitrile;6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carbonitrile;phosphanylphosphane;trimethyl-[2-[[4-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;undeca-1,3,5,7,9-pentayne is sourced from PubChem (CID 159854702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).