3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C110H142BBr4N15O18 — CID 158485606

About 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 158485606) has the molecular formula C110H142BBr4N15O18 and a molecular weight of 2292.86 g/mol. Its IUPAC name is 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 158485606
• Molecular Formula: C110H142BBr4N15O18
• Molecular Weight: 2292.86 g/mol
• Exact Mass: 2287.75
• IUPAC Name: 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: BrCc1cncc(Br)c1.Brc1cncc(COC2CCOCC2)c1.CC(C)(C)OC(=O)N1CCCc2cc(-c3cncc(COC4CCOCC4)c3)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.NC(=O)N1CCCc2cc(-c3cncc(COC4CCOCC4)c3)cnc21.OC1CCOCC1.OCc1cncc(Br)c1.c1ncc(-c2cnc3c(c2)CCCN3)cc1COC1CCOCC1
• InChI: InChI=1S/C24H31N3O4.C20H24N4O3.C19H29BN2O4.C19H23N3O2.C11H14BrNO2.C6H5Br2N.C6H6BrNO.C5H10O2/c1-24(2,3)31-23(28)27-8-4-5-18-12-20(15-26-22(18)27)19-11-17(13-25-14-19)16-30-21-6-9-29-10-7-21;21-20(25)24-5-1-2-15-9-17(12-23-19(15)24)16-8-14(10-22-11-16)13-27-18-3-6-26-7-4-18;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;1-2-15-9-17(12-22-19(15)21-5-1)16-8-14(10-20-11-16)13-24-18-3-6-23-7-4-18;12-10-5-9(6-13-7-10)8-15-11-1-3-14-4-2-11;7-2-5-1-6(8)4-9-3-5;7-6-1-5(4-9)2-8-3-6;6-5-1-3-7-4-2-5/h11-15,21H,4-10,16H2,1-3H3;8-12,18H,1-7,13H2,(H2,21,25);11-12H,8-10H2,1-7H3;8-12,18H,1-7,13H2,(H,21,22);5-7,11H,1-4,8H2;1,3-4H,2H2;1-3,9H,4H2;5-6H,1-4H2
• InChIKey: HIBFKVCWJAJWQR-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 388.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2292.86
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?

The IUPAC name of 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 158485606) is 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

What is the SMILES notation for 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?

The canonical SMILES for 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is BrCc1cncc(Br)c1.Brc1cncc(COC2CCOCC2)c1.CC(C)(C)OC(=O)N1CCCc2cc(-c3cncc(COC4CCOCC4)c3)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.NC(=O)N1CCCc2cc(-c3cncc(COC4CCOCC4)c3)cnc21.OC1CCOCC1.OCc1cncc(Br)c1.c1ncc(-c2cnc3c(c2)CCCN3)cc1COC1CCOCC1.

What is the InChIKey of 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?

The InChIKey is HIBFKVCWJAJWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4.C20H24N4O3.C19H29BN2O4.C19H23N3O2.C11H14BrNO2.C6H5Br2N.C6H6BrNO.C5H10O2/c1-24(2,3)31-23(28)27-8-4-5-18-12-20(15-26-22(18)27)19-11-17(13-25-14-19)16-30-21-6-9-29-10-7-21;21-20(25)24-5-1-2-15-9-17(12-23-19(15)24)16-8-14(10-22-11-16)13-27-18-3-6-26-7-4-18;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;1-2-15-9-17(12-22-19(15)21-5-1)16-8-14(10-20-11-16)13-24-18-3-6-23-7-4-18;12-10-5-9(6-13-7-10)8-15-11-1-3-14-4-2-11;7-2-5-1-6(8)4-9-3-5;7-6-1-5(4-9)2-8-3-6;6-5-1-3-7-4-2-5/h11-15,21H,4-10,16H2,1-3H3;8-12,18H,1-7,13H2,(H2,21,25);11-12H,8-10H2,1-7H3;8-12,18H,1-7,13H2,(H,21,22);5-7,11H,1-4,8H2;1,3-4H,2H2;1-3,9H,4H2;5-6H,1-4H2.

What are the key properties of 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?

3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 2292.86 g/mol, XLogP of 20.24, 18 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(bromomethyl)pyridine;3-bromo-5-(oxan-4-yloxymethyl)pyridine;(5-bromo-3-pyridinyl)methanol;tert-butyl 6-[5-(oxan-4-yloxymethyl)-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;oxan-4-ol;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(oxan-4-yloxymethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 158485606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).