1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane)

C128H91BCl10F4IN18O5P3Pd — CID 158520052

About 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane)

1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane) (PubChem CID 158520052) has the molecular formula C128H91BCl10F4IN18O5P3Pd and a molecular weight of 2728.84 g/mol. Its IUPAC name is 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane)
• PubChem CID: 158520052
• Molecular Formula: C128H91BCl10F4IN18O5P3Pd
• Molecular Weight: 2728.84 g/mol
• Exact Mass: 2722.16
• IUPAC Name: 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane)
• SMILES: CN(C)c1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.CNC.Cl[Pd]Cl.Fc1ccc(Cl)cc1-c1cc(-c2cnc(Cl)c3cnccc23)c2cccnc2n1.O=P(Cl)(Cl)Cl.O=c1[nH]cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.O=c1[nH]cc(I)c2ccncc12.OB(O)c1cc(-c2cc(Cl)ccc2F)nc2ncccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H17ClFN5.C22H11Cl2FN4.C22H12ClFN4O.2C18H15P.C14H9BClFN2O2.C8H5IN2O.C2H7N.Cl3OP.2ClH.Pd/c1-31(2)24-20-12-27-9-7-15(20)19(13-29-24)17-11-22(18-10-14(25)5-6-21(18)26)30-23-16(17)4-3-8-28-23;23-12-3-4-19(25)16(8-12)20-9-15(14-2-1-6-27-22(14)29-20)17-11-28-21(24)18-10-26-7-5-13(17)18;23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-26-21(14)28-20)17-11-27-22(29)18-10-25-7-5-13(17)18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-8-3-4-12(17)10(6-8)13-7-11(15(20)21)9-2-1-5-18-14(9)19-13;9-7-4-11-8(12)6-3-10-2-1-5(6)7;1-3-2;1-5(2,3)4;;;/h3-13H,1-2H3;1-11H;1-11H,(H,27,29);2*1-15H;1-7,20-21H;1-4H,(H,11,12);3H,1-2H3;;2*1H;/q;;;;;;;;;;;+2/p-2
• InChIKey: HMCKSKFIUITJSE-UHFFFAOYSA-L
• XLogP: 31.32
• TPSA: 318.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2728.84
LogP ≤ 5	31.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane)?

The IUPAC name of 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane) (CID 158520052) is 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane).

What is the SMILES notation for 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane)?

The canonical SMILES for 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane) is CN(C)c1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.CNC.Cl[Pd]Cl.Fc1ccc(Cl)cc1-c1cc(-c2cnc(Cl)c3cnccc23)c2cccnc2n1.O=P(Cl)(Cl)Cl.O=c1[nH]cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.O=c1[nH]cc(I)c2ccncc12.OB(O)c1cc(-c2cc(Cl)ccc2F)nc2ncccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane)?

The InChIKey is HMCKSKFIUITJSE-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H17ClFN5.C22H11Cl2FN4.C22H12ClFN4O.2C18H15P.C14H9BClFN2O2.C8H5IN2O.C2H7N.Cl3OP.2ClH.Pd/c1-31(2)24-20-12-27-9-7-15(20)19(13-29-24)17-11-22(18-10-14(25)5-6-21(18)26)30-23-16(17)4-3-8-28-23;23-12-3-4-19(25)16(8-12)20-9-15(14-2-1-6-27-22(14)29-20)17-11-28-21(24)18-10-26-7-5-13(17)18;23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-26-21(14)28-20)17-11-27-22(29)18-10-25-7-5-13(17)18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-8-3-4-12(17)10(6-8)13-7-11(15(20)21)9-2-1-5-18-14(9)19-13;9-7-4-11-8(12)6-3-10-2-1-5(6)7;1-3-2;1-5(2,3)4;;;/h3-13H,1-2H3;1-11H;1-11H,(H,27,29);2*1-15H;1-7,20-21H;1-4H,(H,11,12);3H,1-2H3;;2*1H;/q;;;;;;;;;;;+2/p-2.

What are the key properties of 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane)?

1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane) has a molecular weight of 2728.84 g/mol, XLogP of 31.32, 15 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane) is sourced from PubChem (CID 158520052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).