sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide

C72H56BCl4F2I3N14NaO11P — CID 162081878

About sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide

sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide (PubChem CID 162081878) has the molecular formula C72H56BCl4F2I3N14NaO11P and a molecular weight of 1918.62 g/mol. Its IUPAC name is sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide.

Molecular Properties

• Compound Name: sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide
• PubChem CID: 162081878
• Molecular Formula: C72H56BCl4F2I3N14NaO11P
• Molecular Weight: 1918.62 g/mol
• Exact Mass: 1915.98
• IUPAC Name: sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide
• SMILES: CO.COc1c[nH]c(=O)c2ccncc12.COc1cnc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.COc1cnc(Cl)c2ccncc12.II.O=P(Cl)(Cl)Cl.O=c1[nH]cc(I)c2cnccc12.O=c1[nH]ccc2cnccc12.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.[Na+].[OH-]
• InChI: InChI=1S/C23H15FN4O.C14H10BFN2O2.C9H7ClN2O.C9H8N2O2.C8H5IN2O.C8H6N2O.CH4O.Cl3OP.I2.Na.H2O/c1-29-21-13-27-22(14-8-10-25-12-18(14)21)17-11-20(16-5-2-3-7-19(16)24)28-23-15(17)6-4-9-26-23;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;1-13-8-5-12-9(10)6-2-3-11-4-7(6)8;1-13-8-5-11-9(12)6-2-3-10-4-7(6)8;9-7-4-11-8(12)5-1-2-10-3-6(5)7;11-8-7-2-3-9-5-6(7)1-4-10-8;1-2;1-5(2,3)4;1-2;;/h2-13H,1H3;1-8,19-20H;2-5H,1H3;2-5H,1H3,(H,11,12);1-4H,(H,11,12);1-5H,(H,10,11);2H,1H3;;;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: ZCLIPQVRHPZWAE-UHFFFAOYSA-M
• XLogP: 12.86
• TPSA: 375.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 7
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1918.62
LogP ≤ 5	12.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

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 sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide?

The IUPAC name of sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide (CID 162081878) is sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide.

What is the SMILES notation for sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide?

The canonical SMILES for sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide is CO.COc1c[nH]c(=O)c2ccncc12.COc1cnc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.COc1cnc(Cl)c2ccncc12.II.O=P(Cl)(Cl)Cl.O=c1[nH]cc(I)c2cnccc12.O=c1[nH]ccc2cnccc12.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.[Na+].[OH-].

What is the InChIKey of sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide?

The InChIKey is ZCLIPQVRHPZWAE-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H15FN4O.C14H10BFN2O2.C9H7ClN2O.C9H8N2O2.C8H5IN2O.C8H6N2O.CH4O.Cl3OP.I2.Na.H2O/c1-29-21-13-27-22(14-8-10-25-12-18(14)21)17-11-20(16-5-2-3-7-19(16)24)28-23-15(17)6-4-9-26-23;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;1-13-8-5-12-9(10)6-2-3-11-4-7(6)8;1-13-8-5-11-9(12)6-2-3-10-4-7(6)8;9-7-4-11-8(12)5-1-2-10-3-6(5)7;11-8-7-2-3-9-5-6(7)1-4-10-8;1-2;1-5(2,3)4;1-2;;/h2-13H,1H3;1-8,19-20H;2-5H,1H3;2-5H,1H3,(H,11,12);1-4H,(H,11,12);1-5H,(H,10,11);2H,1H3;;;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide?

sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide has a molecular weight of 1918.62 g/mol, XLogP of 12.86, 7 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-chloro-4-methoxy-2,6-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxy-2,6-naphthyridine;4-iodo-2H-2,6-naphthyridin-1-one;methanol;4-methoxy-2H-2,6-naphthyridin-1-one;molecular iodine;2H-2,6-naphthyridin-1-one;phosphoryl trichloride;hydroxide is sourced from PubChem (CID 162081878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).