5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate

C75H74BBr4F2N11O11 — CID 159309546

About 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate

5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate (PubChem CID 159309546) has the molecular formula C75H74BBr4F2N11O11 and a molecular weight of 1673.91 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 159309546
• Molecular Formula: C75H74BBr4F2N11O11
• Molecular Weight: 1673.91 g/mol
• Exact Mass: 1669.24
• IUPAC Name: 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
• SMILES: COc1ccccc1-c1[nH]nc2ncc(Br)cc12.COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(Br)cc12.COc1ccccc1C(=O)c1cc(Br)cnc1F.Fc1ccc(Br)cn1
• InChI: InChI=1S/C25H32BN3O5.C19H20BrN3O3.C13H9BrFNO2.C13H10BrN3O.C5H3BrFN/c1-23(2,3)22(30)32-15-29-21-18(20(28-29)17-11-9-10-12-19(17)31-8)13-16(14-27-21)26-33-24(4,5)25(6,7)34-26;1-19(2,3)18(24)26-11-23-17-14(9-12(20)10-21-17)16(22-23)13-7-5-6-8-15(13)25-4;1-18-11-5-3-2-4-9(11)12(17)10-6-8(14)7-16-13(10)15;1-18-11-5-3-2-4-9(11)12-10-6-8(14)7-15-13(10)17-16-12;6-4-1-2-5(7)8-3-4/h9-14H,15H2,1-8H3;5-10H,11H2,1-4H3;2-7H,1H3;2-7H,1H3,(H,15,16,17);1-3H
• InChIKey: LCIZQNBELHFBOY-UHFFFAOYSA-N
• XLogP: 16.97
• TPSA: 253.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1673.91
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate (CID 159309546) is 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate is COc1ccccc1-c1[nH]nc2ncc(Br)cc12.COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(Br)cc12.COc1ccccc1C(=O)c1cc(Br)cnc1F.Fc1ccc(Br)cn1.

What is the InChIKey of 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is LCIZQNBELHFBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32BN3O5.C19H20BrN3O3.C13H9BrFNO2.C13H10BrN3O.C5H3BrFN/c1-23(2,3)22(30)32-15-29-21-18(20(28-29)17-11-9-10-12-19(17)31-8)13-16(14-27-21)26-33-24(4,5)25(6,7)34-26;1-19(2,3)18(24)26-11-23-17-14(9-12(20)10-21-17)16(22-23)13-7-5-6-8-15(13)25-4;1-18-11-5-3-2-4-9(11)12(17)10-6-8(14)7-16-13(10)15;1-18-11-5-3-2-4-9(11)12-10-6-8(14)7-15-13(10)17-16-12;6-4-1-2-5(7)8-3-4/h9-14H,15H2,1-8H3;5-10H,11H2,1-4H3;2-7H,1H3;2-7H,1H3,(H,15,16,17);1-3H.

What are the key properties of 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 1673.91 g/mol, XLogP of 16.97, 14 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone;5-bromo-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 159309546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).