5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C66H75BBr2FN13O12 — CID 162249880

About 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 162249880) has the molecular formula C66H75BBr2FN13O12 and a molecular weight of 1432.02 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
• PubChem CID: 162249880
• Molecular Formula: C66H75BBr2FN13O12
• Molecular Weight: 1432.02 g/mol
• Exact Mass: 1429.41
• IUPAC Name: 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
• SMILES: CC1(C)OB(c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)OC1(C)C.COCCO.COCCOc1ccc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1.COCCOc1ccc(Br)cn1.Fc1ccc(Br)cn1
• InChI: InChI=1S/C26H26N6O4.C24H28BN5O4.C8H10BrNO2.C5H3BrFN.C3H8O2/c1-34-13-14-36-24-10-8-19(16-27-24)18-7-9-22-20(15-18)26(33)30-23-6-4-5-21(29-23)25-31-28-17-32(25)11-2-3-12-35-22;1-23(2)24(3,4)34-25(33-23)16-10-11-19-17(14-16)22(31)28-20-9-7-8-18(27-20)21-29-26-15-30(21)12-5-6-13-32-19;1-11-4-5-12-8-3-2-7(9)6-10-8;6-4-1-2-5(7)8-3-4;1-5-3-2-4/h4-10,15-17H,2-3,11-14H2,1H3,(H,29,30,33);7-11,14-15H,5-6,12-13H2,1-4H3,(H,27,28,31);2-3,6H,4-5H2,1H3;1-3H;4H,2-3H2,1H3
• InChIKey: ZXVNLIZWHKPFOV-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 287.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.02
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?

The IUPAC name of 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 162249880) is 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

What is the SMILES notation for 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?

The canonical SMILES for 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is CC1(C)OB(c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)OC1(C)C.COCCO.COCCOc1ccc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1.COCCOc1ccc(Br)cn1.Fc1ccc(Br)cn1.

What is the InChIKey of 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?

The InChIKey is ZXVNLIZWHKPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4.C24H28BN5O4.C8H10BrNO2.C5H3BrFN.C3H8O2/c1-34-13-14-36-24-10-8-19(16-27-24)18-7-9-22-20(15-18)26(33)30-23-6-4-5-21(29-23)25-31-28-17-32(25)11-2-3-12-35-22;1-23(2)24(3,4)34-25(33-23)16-10-11-19-17(14-16)22(31)28-20-9-7-8-18(27-20)21-29-26-15-30(21)12-5-6-13-32-19;1-11-4-5-12-8-3-2-7(9)6-10-8;6-4-1-2-5(7)8-3-4;1-5-3-2-4/h4-10,15-17H,2-3,11-14H2,1H3,(H,29,30,33);7-11,14-15H,5-6,12-13H2,1-4H3,(H,27,28,31);2-3,6H,4-5H2,1H3;1-3H;4H,2-3H2,1H3.

What are the key properties of 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?

5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 1432.02 g/mol, XLogP of 10.39, 12 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;5-bromo-2-(2-methoxyethoxy)pyridine;2-methoxyethanol;15-[6-(2-methoxyethoxy)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 162249880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).