3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C103H107BBr2F4N14O12 — CID 159063872

About 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 159063872) has the molecular formula C103H107BBr2F4N14O12 and a molecular weight of 1979.69 g/mol. Its IUPAC name is 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 159063872
• Molecular Formula: C103H107BBr2F4N14O12
• Molecular Weight: 1979.69 g/mol
• Exact Mass: 1976.66
• IUPAC Name: 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: CC(C)(C)OC(=O)N1CCCc2cc(-c3cnccc3COc3ccc(F)cc3)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.Fc1ccc(OCc2ccncc2-c2cnc3c(c2)CCCN3)cc1.Fc1ccc(OCc2ccncc2Br)cc1.NC(=O)N1CCCc2cc(-c3cnccc3COc3ccc(F)cc3)cnc21.OCc1ccncc1Br
• InChI: InChI=1S/C25H26FN3O3.C21H19FN4O2.C20H18FN3O.C19H29BN2O4.C12H9BrFNO.C6H6BrNO/c1-25(2,3)32-24(30)29-12-4-5-17-13-19(14-28-23(17)29)22-15-27-11-10-18(22)16-31-21-8-6-20(26)7-9-21;22-17-3-5-18(6-4-17)28-13-15-7-8-24-12-19(15)16-10-14-2-1-9-26(21(23)27)20(14)25-11-16;21-17-3-5-18(6-4-17)25-13-15-7-9-22-12-19(15)16-10-14-2-1-8-23-20(14)24-11-16;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;13-12-7-15-6-5-9(12)8-16-11-3-1-10(14)2-4-11;7-6-3-8-2-1-5(6)4-9/h6-11,13-15H,4-5,12,16H2,1-3H3;3-8,10-12H,1-2,9,13H2,(H2,23,27);3-7,9-12H,1-2,8,13H2,(H,23,24);11-12H,8-10H2,1-7H3;1-7H,8H2;1-3,9H,4H2
• InChIKey: JYUQKBPRTXFQIR-UHFFFAOYSA-N
• XLogP: 21.43
• TPSA: 309.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1979.69
LogP ≤ 5	21.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?

The IUPAC name of 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 159063872) is 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

What is the SMILES notation for 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?

The canonical SMILES for 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is CC(C)(C)OC(=O)N1CCCc2cc(-c3cnccc3COc3ccc(F)cc3)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.Fc1ccc(OCc2ccncc2-c2cnc3c(c2)CCCN3)cc1.Fc1ccc(OCc2ccncc2Br)cc1.NC(=O)N1CCCc2cc(-c3cnccc3COc3ccc(F)cc3)cnc21.OCc1ccncc1Br.

What is the InChIKey of 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?

The InChIKey is JYUQKBPRTXFQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3.C21H19FN4O2.C20H18FN3O.C19H29BN2O4.C12H9BrFNO.C6H6BrNO/c1-25(2,3)32-24(30)29-12-4-5-17-13-19(14-28-23(17)29)22-15-27-11-10-18(22)16-31-21-8-6-20(26)7-9-21;22-17-3-5-18(6-4-17)28-13-15-7-8-24-12-19(15)16-10-14-2-1-9-26(21(23)27)20(14)25-11-16;21-17-3-5-18(6-4-17)25-13-15-7-9-22-12-19(15)16-10-14-2-1-8-23-20(14)24-11-16;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;13-12-7-15-6-5-9(12)8-16-11-3-1-10(14)2-4-11;7-6-3-8-2-1-5(6)4-9/h6-11,13-15H,4-5,12,16H2,1-3H3;3-8,10-12H,1-2,9,13H2,(H2,23,27);3-7,9-12H,1-2,8,13H2,(H,23,24);11-12H,8-10H2,1-7H3;1-7H,8H2;1-3,9H,4H2.

What are the key properties of 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?

3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 1979.69 g/mol, XLogP of 21.43, 17 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-[(4-fluorophenoxy)methyl]pyridine;(3-bromo-4-pyridinyl)methanol;tert-butyl 6-[4-[(4-fluorophenoxy)methyl]-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;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 159063872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).