3-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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

C55H67BBr3N11O7 — CID 158288732

About 3-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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 158288732) has the molecular formula C55H67BBr3N11O7 and a molecular weight of 1244.73 g/mol. Its IUPAC name is 3-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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: 158288732
• Molecular Formula: C55H67BBr3N11O7
• Molecular Weight: 1244.73 g/mol
• Exact Mass: 1241.29
• IUPAC Name: 3-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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: BrCc1cncc(Br)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(CN4CCCC4=O)c3)cnc21.O=C1CCCC1.O=C1CCCN1Cc1cncc(Br)c1
• InChI: InChI=1S/C19H21N5O2.C15H22BN3O3.C10H11BrN2O.C6H5Br2N.C5H8O/c20-19(26)24-6-1-3-14-8-16(11-22-18(14)24)15-7-13(9-21-10-15)12-23-5-2-4-17(23)25;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;11-9-4-8(5-12-6-9)7-13-3-1-2-10(13)14;7-2-5-1-6(8)4-9-3-5;6-5-3-1-2-4-5/h7-11H,1-6,12H2,(H2,20,26);8-9H,5-7H2,1-4H3,(H2,17,20);4-6H,1-3,7H2;1,3-4H,2H2;1-4H2
• InChIKey: GLCDPGRWOXHECD-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 233.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1244.73
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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 158288732) is 3-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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 BrCc1cncc(Br)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(CN4CCCC4=O)c3)cnc21.O=C1CCCC1.O=C1CCCN1Cc1cncc(Br)c1.

What is the InChIKey of 3-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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 GLCDPGRWOXHECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.C15H22BN3O3.C10H11BrN2O.C6H5Br2N.C5H8O/c20-19(26)24-6-1-3-14-8-16(11-22-18(14)24)15-7-13(9-21-10-15)12-23-5-2-4-17(23)25;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;11-9-4-8(5-12-6-9)7-13-3-1-2-10(13)14;7-2-5-1-6(8)4-9-3-5;6-5-3-1-2-4-5/h7-11H,1-6,12H2,(H2,20,26);8-9H,5-7H2,1-4H3,(H2,17,20);4-6H,1-3,7H2;1,3-4H,2H2;1-4H2.

What are the key properties of 3-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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 1244.73 g/mol, XLogP of 9.14, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-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 158288732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).