5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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

C60H68BBr7N14O7 — CID 159046258

About 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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

5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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 159046258) has the molecular formula C60H68BBr7N14O7 and a molecular weight of 1667.43 g/mol. Its IUPAC name is 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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: 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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: 159046258
• Molecular Formula: C60H68BBr7N14O7
• Molecular Weight: 1667.43 g/mol
• Exact Mass: 1659.98
• IUPAC Name: 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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: BrBr.Brc1cncc(C2CCCN2)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(C4CCC(=O)N4)c3)cnc21.O=C1CCC(c2cncc(Br)c2)N1.O=C1NC(c2cncc(Br)c2)CC1(Br)Br
• InChI: InChI=1S/C18H19N5O2.C15H22BN3O3.C9H7Br3N2O.C9H9BrN2O.C9H11BrN2.Br2/c19-18(25)23-5-1-2-11-6-13(10-21-17(11)23)12-7-14(9-20-8-12)15-3-4-16(24)22-15;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;10-6-1-5(3-13-4-6)7-2-9(11,12)8(15)14-7;10-7-3-6(4-11-5-7)8-1-2-9(13)12-8;10-8-4-7(5-11-6-8)9-2-1-3-12-9;1-2/h6-10,15H,1-5H2,(H2,19,25)(H,22,24);8-9H,5-7H2,1-4H3,(H2,17,20);1,3-4,7H,2H2,(H,14,15);3-5,8H,1-2H2,(H,12,13);4-6,9,12H,1-3H2
• InChIKey: JWRQKILHAINVKK-UHFFFAOYSA-N
• XLogP: 11.78
• TPSA: 287.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1667.43
LogP ≤ 5	11.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

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 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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 159046258) is 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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 BrBr.Brc1cncc(C2CCCN2)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(C4CCC(=O)N4)c3)cnc21.O=C1CCC(c2cncc(Br)c2)N1.O=C1NC(c2cncc(Br)c2)CC1(Br)Br.

What is the InChIKey of 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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 JWRQKILHAINVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2.C15H22BN3O3.C9H7Br3N2O.C9H9BrN2O.C9H11BrN2.Br2/c19-18(25)23-5-1-2-11-6-13(10-21-17(11)23)12-7-14(9-20-8-12)15-3-4-16(24)22-15;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;10-6-1-5(3-13-4-6)7-2-9(11,12)8(15)14-7;10-7-3-6(4-11-5-7)8-1-2-9(13)12-8;10-8-4-7(5-11-6-8)9-2-1-3-12-9;1-2/h6-10,15H,1-5H2,(H2,19,25)(H,22,24);8-9H,5-7H2,1-4H3,(H2,17,20);1,3-4,7H,2H2,(H,14,15);3-5,8H,1-2H2,(H,12,13);4-6,9,12H,1-3H2;.

What are the key properties of 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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?

5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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 1667.43 g/mol, XLogP of 11.78, 6 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;3-bromo-5-pyrrolidin-2-ylpyridine;3,3-dibromo-5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;molecular bromine;6-[5-(5-oxopyrrolidin-2-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 159046258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).