2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one

C122H79Br2Cl6F3N18O6 — CID 158661486

About 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one

2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 158661486) has the molecular formula C122H79Br2Cl6F3N18O6 and a molecular weight of 2322.61 g/mol. Its IUPAC name is 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
• PubChem CID: 158661486
• Molecular Formula: C122H79Br2Cl6F3N18O6
• Molecular Weight: 2322.61 g/mol
• Exact Mass: 2316.29
• IUPAC Name: 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
• SMILES: C#Cc1cc(=O)c2cc(-c3cc(C)nc(Cl)c3)c(-c3ccccc3)nc2[nH]1.Cc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2F)cc(Cl)n1.Cc1cc(-c2cc3c(=O)c(Br)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)c(F)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc(Br)[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc(F)[nH]c3nc2-c2ccccc2)cc(Cl)n1
• InChI: InChI=1S/C22H14ClN3O.2C20H13BrClN3O.3C20H13ClFN3O/c1-3-16-11-19(27)18-12-17(15-9-13(2)24-20(23)10-15)21(26-22(18)25-16)14-7-5-4-6-8-14;1-11-7-13(8-17(22)24-11)14-9-15-19(26)16(21)10-23-20(15)25-18(14)12-5-3-2-4-6-12;1-11-7-13(8-18(22)23-11)14-9-15-16(26)10-17(21)24-20(15)25-19(14)12-5-3-2-4-6-12;1-11-7-13(8-17(21)24-11)14-9-15-19(26)16(22)10-23-20(15)25-18(14)12-5-3-2-4-6-12;1-11-7-13(8-17(21)23-11)14-9-15-16(26)10-18(22)24-20(15)25-19(14)12-5-3-2-4-6-12;1-11-9-13(10-15(21)24-11)16-18(22)17-14(26)7-8-23-20(17)25-19(16)12-5-3-2-4-6-12/h1,4-12H,2H3,(H,25,26,27);2-10H,1H3,(H,23,25,26);2-10H,1H3,(H,24,25,26);2-10H,1H3,(H,23,25,26);2-10H,1H3,(H,24,25,26);2-10H,1H3,(H,23,25,26)
• InChIKey: ICUTZQRZHPHASH-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 351.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2322.61
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one?

The IUPAC name of 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one (CID 158661486) is 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one is C#Cc1cc(=O)c2cc(-c3cc(C)nc(Cl)c3)c(-c3ccccc3)nc2[nH]1.Cc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2F)cc(Cl)n1.Cc1cc(-c2cc3c(=O)c(Br)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)c(F)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc(Br)[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc(F)[nH]c3nc2-c2ccccc2)cc(Cl)n1.

What is the InChIKey of 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one?

The InChIKey is ICUTZQRZHPHASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O.2C20H13BrClN3O.3C20H13ClFN3O/c1-3-16-11-19(27)18-12-17(15-9-13(2)24-20(23)10-15)21(26-22(18)25-16)14-7-5-4-6-8-14;1-11-7-13(8-17(22)24-11)14-9-15-19(26)16(21)10-23-20(15)25-18(14)12-5-3-2-4-6-12;1-11-7-13(8-18(22)23-11)14-9-15-16(26)10-17(21)24-20(15)25-19(14)12-5-3-2-4-6-12;1-11-7-13(8-17(21)24-11)14-9-15-19(26)16(22)10-23-20(15)25-18(14)12-5-3-2-4-6-12;1-11-7-13(8-17(21)23-11)14-9-15-16(26)10-18(22)24-20(15)25-19(14)12-5-3-2-4-6-12;1-11-9-13(10-15(21)24-11)16-18(22)17-14(26)7-8-23-20(17)25-19(16)12-5-3-2-4-6-12/h1,4-12H,2H3,(H,25,26,27);2-10H,1H3,(H,23,25,26);2-10H,1H3,(H,24,25,26);2-10H,1H3,(H,23,25,26);2-10H,1H3,(H,24,25,26);2-10H,1H3,(H,23,25,26).

What are the key properties of 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one?

2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 2322.61 g/mol, XLogP of 29.61, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-bromo-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-ethynyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-2-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 158661486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).