4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide

C108H92BrN8O2P4PdZn- — CID 158509742

About 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide

4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide (PubChem CID 158509742) has the molecular formula C108H92BrN8O2P4PdZn- and a molecular weight of 1909.59 g/mol. Its IUPAC name is 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide.

Molecular Properties

• Compound Name: 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide
• PubChem CID: 158509742
• Molecular Formula: C108H92BrN8O2P4PdZn-
• Molecular Weight: 1909.59 g/mol
• Exact Mass: 1905.38
• IUPAC Name: 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide
• SMILES: Brc1ccc2c(c1)CN=C2c1ccnc(N2CCOCC2)c1.[C-]#N.[C-]#[N+]c1ccc2c(c1)CN=C2c1ccnc(N2CCOCC2)c1.[Pd].[Zn].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H16N4O.4C18H15P.C17H16BrN3O.CN.Pd.Zn/c1-19-15-2-3-16-14(10-15)12-21-18(16)13-4-5-20-17(11-13)22-6-8-23-9-7-22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-14-1-2-15-13(9-14)11-20-17(15)12-3-4-19-16(10-12)21-5-7-22-8-6-21;1-2;;/h2-5,10-11H,6-9,12H2;4*1-15H;1-4,9-10H,5-8,11H2;;;/q;;;;;;-1
• InChIKey: HKXFYVBZIDDJCY-UHFFFAOYSA-N
• XLogP: 19.72
• TPSA: 103.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1909.59
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide?

The IUPAC name of 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide (CID 158509742) is 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide.

What is the SMILES notation for 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide?

The canonical SMILES for 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide is Brc1ccc2c(c1)CN=C2c1ccnc(N2CCOCC2)c1.[C-]#N.[C-]#[N+]c1ccc2c(c1)CN=C2c1ccnc(N2CCOCC2)c1.[Pd].[Zn].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide?

The InChIKey is HKXFYVBZIDDJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O.4C18H15P.C17H16BrN3O.CN.Pd.Zn/c1-19-15-2-3-16-14(10-15)12-21-18(16)13-4-5-20-17(11-13)22-6-8-23-9-7-22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-14-1-2-15-13(9-14)11-20-17(15)12-3-4-19-16(10-12)21-5-7-22-8-6-21;1-2;;/h2-5,10-11H,6-9,12H2;4*1-15H;1-4,9-10H,5-8,11H2;;;/q;;;;;;-1;;.

What are the key properties of 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide?

4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide has a molecular weight of 1909.59 g/mol, XLogP of 19.72, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-isocyano-3H-isoindol-1-yl)-2-pyridinyl]morpholine;palladium;tetrakis(triphenylphosphane);zinc;cyanide is sourced from PubChem (CID 158509742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).