3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol

C109H146BBr3ClN15O21 — CID 157477609

About 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol

3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol (PubChem CID 157477609) has the molecular formula C109H146BBr3ClN15O21 and a molecular weight of 2288.43 g/mol. Its IUPAC name is 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol.

Molecular Properties

• Compound Name: 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol
• PubChem CID: 157477609
• Molecular Formula: C109H146BBr3ClN15O21
• Molecular Weight: 2288.43 g/mol
• Exact Mass: 2283.81
• IUPAC Name: 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol
• SMILES: CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.CC(C)(O)CCOc1cncc(-c2cnc3c(c2)CCCN3)c1.CC(C)(O)CCOc1cncc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1.CC(C)(O)CCOc1cncc(Br)c1.CC(C)(O)COCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CCOC(=O)CCOc1cncc(Br)c1.CCOC(=O)CO.ClCc1cncc(Br)c1
• InChI: InChI=1S/C23H31N3O4.C19H29BN2O4.C19H24N4O3.C18H23N3O2.C10H12BrNO3.C10H14BrNO2.C6H5BrClN.C4H8O3/c1-22(2,3)30-21(27)26-9-6-7-16-11-17(14-25-20(16)26)18-12-19(15-24-13-18)29-10-8-23(4,5)28;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;1-19(2,25)12-26-11-13-6-15(9-21-8-13)16-7-14-4-3-5-23(18(20)24)17(14)22-10-16;1-18(2,22)5-7-23-16-9-15(10-19-12-16)14-8-13-4-3-6-20-17(13)21-11-14;1-2-14-10(13)3-4-15-9-5-8(11)6-12-7-9;1-10(2,13)3-4-14-9-5-8(11)6-12-7-9;7-6-1-5(2-8)3-9-4-6;1-2-7-4(6)3-5/h11-15,28H,6-10H2,1-5H3;11-12H,8-10H2,1-7H3;6-10,25H,3-5,11-12H2,1-2H3,(H2,20,24);8-12,22H,3-7H2,1-2H3,(H,20,21);5-7H,2-4H2,1H3;5-7,13H,3-4H2,1-2H3;1,3-4H,2H2;5H,2-3H2,1H3
• InChIKey: BVTXKLMYNVWWCT-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 464.70 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2288.43
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol?

The IUPAC name of 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol (CID 157477609) is 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol.

What is the SMILES notation for 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol?

The canonical SMILES for 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol is CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.CC(C)(O)CCOc1cncc(-c2cnc3c(c2)CCCN3)c1.CC(C)(O)CCOc1cncc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1.CC(C)(O)CCOc1cncc(Br)c1.CC(C)(O)COCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CCOC(=O)CCOc1cncc(Br)c1.CCOC(=O)CO.ClCc1cncc(Br)c1.

What is the InChIKey of 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol?

The InChIKey is BVTXKLMYNVWWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4.C19H29BN2O4.C19H24N4O3.C18H23N3O2.C10H12BrNO3.C10H14BrNO2.C6H5BrClN.C4H8O3/c1-22(2,3)30-21(27)26-9-6-7-16-11-17(14-25-20(16)26)18-12-19(15-24-13-18)29-10-8-23(4,5)28;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;1-19(2,25)12-26-11-13-6-15(9-21-8-13)16-7-14-4-3-5-23(18(20)24)17(14)22-10-16;1-18(2,22)5-7-23-16-9-15(10-19-12-16)14-8-13-4-3-6-20-17(13)21-11-14;1-2-14-10(13)3-4-15-9-5-8(11)6-12-7-9;1-10(2,13)3-4-14-9-5-8(11)6-12-7-9;7-6-1-5(2-8)3-9-4-6;1-2-7-4(6)3-5/h11-15,28H,6-10H2,1-5H3;11-12H,8-10H2,1-7H3;6-10,25H,3-5,11-12H2,1-2H3,(H2,20,24);8-12,22H,3-7H2,1-2H3,(H,20,21);5-7H,2-4H2,1H3;5-7,13H,3-4H2,1-2H3;1,3-4H,2H2;5H,2-3H2,1H3.

What are the key properties of 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol?

3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol has a molecular weight of 2288.43 g/mol, XLogP of 19.43, 28 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(chloromethyl)pyridine;4-[(5-bromo-3-pyridinyl)oxy]-2-methylbutan-2-ol;tert-butyl 6-[5-(3-hydroxy-3-methylbutoxy)-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;ethyl 3-[(5-bromo-3-pyridinyl)oxy]propanoate;ethyl 2-hydroxyacetate;6-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]butan-2-ol is sourced from PubChem (CID 157477609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).