5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid

C74H67BBr3Cl4FN14O8 — CID 167574959

About 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid

5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid (PubChem CID 167574959) has the molecular formula C74H67BBr3Cl4FN14O8 and a molecular weight of 1691.77 g/mol. Its IUPAC name is 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid.

Molecular Properties

• Compound Name: 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid
• PubChem CID: 167574959
• Molecular Formula: C74H67BBr3Cl4FN14O8
• Molecular Weight: 1691.77 g/mol
• Exact Mass: 1686.16
• IUPAC Name: 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid
• SMILES: Clc1cccnc1O[C@@H]1CCNC1.N#Cc1cc(Br)ccc1F.NC(=O)c1cc(-c2cccnc2)ccc1N1CC[C@@H](Oc2ncccc2Cl)C1.NC(=O)c1cc(Br)ccc1N1CC[C@@H](Oc2ncccc2Cl)C1.OB(O)c1cccnc1.[C-]#[N+]c1cc(Br)ccc1N1CC[C@@H](Oc2ncccc2Cl)C1
• InChI: InChI=1S/C21H19ClN4O2.C16H15BrClN3O2.C16H13BrClN3O.C9H11ClN2O.C7H3BrFN.C5H6BNO2/c22-18-4-2-9-25-21(18)28-16-7-10-26(13-16)19-6-5-14(11-17(19)20(23)27)15-3-1-8-24-12-15;17-10-3-4-14(12(8-10)15(19)22)21-7-5-11(9-21)23-16-13(18)2-1-6-20-16;1-19-14-9-11(17)4-5-15(14)21-8-6-12(10-21)22-16-13(18)3-2-7-20-16;10-8-2-1-4-12-9(8)13-7-3-5-11-6-7;8-6-1-2-7(9)5(3-6)4-10;8-6(9)5-2-1-3-7-4-5/h1-6,8-9,11-12,16H,7,10,13H2,(H2,23,27);1-4,6,8,11H,5,7,9H2,(H2,19,22);2-5,7,9,12H,6,8,10H2;1-2,4,7,11H,3,5-6H2;1-3H;1-4,8-9H/t16-;11-;12-;7-;;/m1111../s1
• InChIKey: GKFBYZBXQRFIDY-JKXOZCABSA-N
• XLogP: 14.21
• TPSA: 290.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1691.77
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid?

The IUPAC name of 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid (CID 167574959) is 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid.

What is the SMILES notation for 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid?

The canonical SMILES for 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid is Clc1cccnc1O[C@@H]1CCNC1.N#Cc1cc(Br)ccc1F.NC(=O)c1cc(-c2cccnc2)ccc1N1CC[C@@H](Oc2ncccc2Cl)C1.NC(=O)c1cc(Br)ccc1N1CC[C@@H](Oc2ncccc2Cl)C1.OB(O)c1cccnc1.[C-]#[N+]c1cc(Br)ccc1N1CC[C@@H](Oc2ncccc2Cl)C1.

What is the InChIKey of 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid?

The InChIKey is GKFBYZBXQRFIDY-JKXOZCABSA-N. The full InChI is InChI=1S/C21H19ClN4O2.C16H15BrClN3O2.C16H13BrClN3O.C9H11ClN2O.C7H3BrFN.C5H6BNO2/c22-18-4-2-9-25-21(18)28-16-7-10-26(13-16)19-6-5-14(11-17(19)20(23)27)15-3-1-8-24-12-15;17-10-3-4-14(12(8-10)15(19)22)21-7-5-11(9-21)23-16-13(18)2-1-6-20-16;1-19-14-9-11(17)4-5-15(14)21-8-6-12(10-21)22-16-13(18)3-2-7-20-16;10-8-2-1-4-12-9(8)13-7-3-5-11-6-7;8-6-1-2-7(9)5(3-6)4-10;8-6(9)5-2-1-3-7-4-5/h1-6,8-9,11-12,16H,7,10,13H2,(H2,23,27);1-4,6,8,11H,5,7,9H2,(H2,19,22);2-5,7,9,12H,6,8,10H2;1-2,4,7,11H,3,5-6H2;1-3H;1-4,8-9H/t16-;11-;12-;7-;;/m1111../s1.

What are the key properties of 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid?

5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid has a molecular weight of 1691.77 g/mol, XLogP of 14.21, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid is sourced from PubChem (CID 167574959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).