benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine

C73H74BBr3N8O12 — CID 157404837

About benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine

benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 157404837) has the molecular formula C73H74BBr3N8O12 and a molecular weight of 1505.96 g/mol. Its IUPAC name is benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 157404837
• Molecular Formula: C73H74BBr3N8O12
• Molecular Weight: 1505.96 g/mol
• Exact Mass: 1502.31
• IUPAC Name: benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: Brc1cnc2c(c1)CCCN2.CC1(C)OB(c2cncc(COCC(=O)OCc3ccccc3)c2)OC1(C)C.O=C(COCc1cncc(-c2cnc3ncccc3c2)c1)OCc1ccccc1.O=C(COCc1cncc(Br)c1)OCc1ccccc1.OCc1cncc(Br)c1
• InChI: InChI=1S/C23H19N3O3.C21H26BNO5.C15H14BrNO3.C8H9BrN2.C6H6BrNO/c27-22(29-15-17-5-2-1-3-6-17)16-28-14-18-9-20(12-24-11-18)21-10-19-7-4-8-25-23(19)26-13-21;1-20(2)21(3,4)28-22(27-20)18-10-17(11-23-12-18)13-25-15-19(24)26-14-16-8-6-5-7-9-16;16-14-6-13(7-17-8-14)9-19-11-15(18)20-10-12-4-2-1-3-5-12;9-7-4-6-2-1-3-10-8(6)11-5-7;7-6-1-5(4-9)2-8-3-6/h1-13H,14-16H2;5-12H,13-15H2,1-4H3;1-8H,9-11H2;4-5H,1-3H2,(H,10,11);1-3,9H,4H2
• InChIKey: BNPHHIWPRXFHBX-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 247.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1505.96
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine?

The IUPAC name of benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 157404837) is benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine.

What is the SMILES notation for benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine?

The canonical SMILES for benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine is Brc1cnc2c(c1)CCCN2.CC1(C)OB(c2cncc(COCC(=O)OCc3ccccc3)c2)OC1(C)C.O=C(COCc1cncc(-c2cnc3ncccc3c2)c1)OCc1ccccc1.O=C(COCc1cncc(Br)c1)OCc1ccccc1.OCc1cncc(Br)c1.

What is the InChIKey of benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine?

The InChIKey is BNPHHIWPRXFHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3.C21H26BNO5.C15H14BrNO3.C8H9BrN2.C6H6BrNO/c27-22(29-15-17-5-2-1-3-6-17)16-28-14-18-9-20(12-24-11-18)21-10-19-7-4-8-25-23(19)26-13-21;1-20(2)21(3,4)28-22(27-20)18-10-17(11-23-12-18)13-25-15-19(24)26-14-16-8-6-5-7-9-16;16-14-6-13(7-17-8-14)9-19-11-15(18)20-10-12-4-2-1-3-5-12;9-7-4-6-2-1-3-10-8(6)11-5-7;7-6-1-5(4-9)2-8-3-6/h1-13H,14-16H2;5-12H,13-15H2,1-4H3;1-8H,9-11H2;4-5H,1-3H2,(H,10,11);1-3,9H,4H2.

What are the key properties of benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine?

benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 1505.96 g/mol, XLogP of 13.24, 21 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-[(5-bromo-3-pyridinyl)methoxy]acetate;benzyl 2-[[5-(1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetate;benzyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methoxy]acetate;(5-bromo-3-pyridinyl)methanol;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 157404837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).