2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)

C118H86BClF8N8O4P4Pd — CID 161382070

About 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)

2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) (PubChem CID 161382070) has the molecular formula C118H86BClF8N8O4P4Pd and a molecular weight of 2108.60 g/mol. Its IUPAC name is 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 161382070
• Molecular Formula: C118H86BClF8N8O4P4Pd
• Molecular Weight: 2108.60 g/mol
• Exact Mass: 2106.44
• IUPAC Name: 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)
• SMILES: O=c1ccc2cnc3ccc(-c4cncc(F)c4)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.OB(O)c1cncc(F)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C23H12F4N4O.C18H9ClF3N3O.4C18H15P.C5H5BFNO2.Pd/c24-16-8-14(10-28-12-16)18-5-6-19-21(30-18)22-13(11-29-19)4-7-20(32)31(22)17-3-1-2-15(9-17)23(25,26)27;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-1-4(6(9)10)2-8-3-5;/h1-12H;1-9H;4*1-15H;1-3,9-10H
• InChIKey: VRVSLBJYUGPUNH-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 161.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2108.60
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) (CID 161382070) is 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) is O=c1ccc2cnc3ccc(-c4cncc(F)c4)nc3c2n1-c1cccc(C(F)(F)F)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.OB(O)c1cncc(F)c1.[Pd].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 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)?

The InChIKey is VRVSLBJYUGPUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F4N4O.C18H9ClF3N3O.4C18H15P.C5H5BFNO2.Pd/c24-16-8-14(10-28-12-16)18-5-6-19-21(30-18)22-13(11-29-19)4-7-20(32)31(22)17-3-1-2-15(9-17)23(25,26)27;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-1-4(6(9)10)2-8-3-5;/h1-12H;1-9H;4*1-15H;1-3,9-10H;.

What are the key properties of 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane)?

2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2108.60 g/mol, XLogP of 22.44, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 161382070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).