4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C108H117B2Br5F2IN19O12 — CID 159037480

About 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 159037480) has the molecular formula C108H117B2Br5F2IN19O12 and a molecular weight of 2459.29 g/mol. Its IUPAC name is 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 159037480
• Molecular Formula: C108H117B2Br5F2IN19O12
• Molecular Weight: 2459.29 g/mol
• Exact Mass: 2453.42
• IUPAC Name: 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: Brc1ccncc1-c1cnc2c(c1)CCCN2.Brc1ccncc1I.CC(C)(C)OC(=O)N1CCCc2cc(-c3cnccc3Br)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21.NC(=O)N1CCCc2cc(-c3cnccc3-c3ccc(F)cc3)cnc21.NC(=O)N1CCCc2cc(-c3cnccc3Br)cnc21.OB(O)c1ccc(F)cc1
• InChI: InChI=1S/C20H17FN4O.C19H29BN2O4.C18H20BrN3O2.C14H13BrN4O.C13H12BrN3.C13H17BrN2O2.C6H6BFO2.C5H3BrIN/c21-16-5-3-13(4-6-16)17-7-8-23-12-18(17)15-10-14-2-1-9-25(20(22)26)19(14)24-11-15;1-17(2,3)24-16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-25-18(4,5)19(6,7)26-20;1-18(2,3)24-17(23)22-8-4-5-12-9-13(10-21-16(12)22)14-11-20-7-6-15(14)19;15-12-3-4-17-8-11(12)10-6-9-2-1-5-19(14(16)20)13(9)18-7-10;14-12-3-5-15-8-11(12)10-6-9-2-1-4-16-13(9)17-7-10;1-13(2,3)18-12(17)16-6-4-5-9-7-10(14)8-15-11(9)16;8-6-3-1-5(2-4-6)7(9)10;6-4-1-2-8-3-5(4)7/h3-8,10-12H,1-2,9H2,(H2,22,26);11-12H,8-10H2,1-7H3;6-7,9-11H,4-5,8H2,1-3H3;3-4,6-8H,1-2,5H2,(H2,16,20);3,5-8H,1-2,4H2,(H,16,17);7-8H,4-6H2,1-3H3;1-4,9-10H;1-3H
• InChIKey: JVQCMTYLOUMXAR-UHFFFAOYSA-N
• XLogP: 22.93
• TPSA: 394.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 7
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2459.29
LogP ≤ 5	22.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 159037480) is 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Brc1ccncc1-c1cnc2c(c1)CCCN2.Brc1ccncc1I.CC(C)(C)OC(=O)N1CCCc2cc(-c3cnccc3Br)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21.NC(=O)N1CCCc2cc(-c3cnccc3-c3ccc(F)cc3)cnc21.NC(=O)N1CCCc2cc(-c3cnccc3Br)cnc21.OB(O)c1ccc(F)cc1.

What is the InChIKey of 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is JVQCMTYLOUMXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O.C19H29BN2O4.C18H20BrN3O2.C14H13BrN4O.C13H12BrN3.C13H17BrN2O2.C6H6BFO2.C5H3BrIN/c21-16-5-3-13(4-6-16)17-7-8-23-12-18(17)15-10-14-2-1-9-25(20(22)26)19(14)24-11-15;1-17(2,3)24-16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-25-18(4,5)19(6,7)26-20;1-18(2,3)24-17(23)22-8-4-5-12-9-13(10-21-16(12)22)14-11-20-7-6-15(14)19;15-12-3-4-17-8-11(12)10-6-9-2-1-5-19(14(16)20)13(9)18-7-10;14-12-3-5-15-8-11(12)10-6-9-2-1-4-16-13(9)17-7-10;1-13(2,3)18-12(17)16-6-4-5-9-7-10(14)8-15-11(9)16;8-6-3-1-5(2-4-6)7(9)10;6-4-1-2-8-3-5(4)7/h3-8,10-12H,1-2,9H2,(H2,22,26);11-12H,8-10H2,1-7H3;6-7,9-11H,4-5,8H2,1-3H3;3-4,6-8H,1-2,5H2,(H2,16,20);3,5-8H,1-2,4H2,(H,16,17);7-8H,4-6H2,1-3H3;1-4,9-10H;1-3H.

What are the key properties of 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 2459.29 g/mol, XLogP of 22.93, 7 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-iodopyridine;6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;(4-fluorophenyl)boronic acid;6-[4-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 159037480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).