3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C48H56BBr3N8O8 — CID 159963515

About 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 159963515) has the molecular formula C48H56BBr3N8O8 and a molecular weight of 1123.55 g/mol. Its IUPAC name is 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 159963515
• Molecular Formula: C48H56BBr3N8O8
• Molecular Weight: 1123.55 g/mol
• Exact Mass: 1120.19
• IUPAC Name: 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: Brc1cncc(Br)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(C4(O)CCOC4)c3)cnc21.OC1(c2cccc(Br)c2)CCOC1
• InChI: InChI=1S/C18H20N4O3.C15H22BN3O3.C10H11BrO2.C5H3Br2N/c19-17(23)22-4-1-2-12-6-13(9-21-16(12)22)14-7-15(10-20-8-14)18(24)3-5-25-11-18;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;11-9-3-1-2-8(6-9)10(12)4-5-13-7-10;6-4-1-5(7)3-8-2-4/h6-10,24H,1-5,11H2,(H2,19,23);8-9H,5-7H2,1-4H3,(H2,17,20);1-3,6,12H,4-5,7H2;1-3H
• InChIKey: ODQADNBAZRJXSU-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 221.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1123.55
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 159963515) is 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Brc1cncc(Br)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(C4(O)CCOC4)c3)cnc21.OC1(c2cccc(Br)c2)CCOC1.

What is the InChIKey of 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is ODQADNBAZRJXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3.C15H22BN3O3.C10H11BrO2.C5H3Br2N/c19-17(23)22-4-1-2-12-6-13(9-21-16(12)22)14-7-15(10-20-8-14)18(24)3-5-25-11-18;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;11-9-3-1-2-8(6-9)10(12)4-5-13-7-10;6-4-1-5(7)3-8-2-4/h6-10,24H,1-5,11H2,(H2,19,23);8-9H,5-7H2,1-4H3,(H2,17,20);1-3,6,12H,4-5,7H2;1-3H.

What are the key properties of 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 1123.55 g/mol, XLogP of 7.46, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-bromophenyl)oxolan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 159963515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).