5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride

C106H106Br3Cl2F5N24O13 — CID 158505048

About 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride

5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride (PubChem CID 158505048) has the molecular formula C106H106Br3Cl2F5N24O13 and a molecular weight of 2329.78 g/mol. Its IUPAC name is 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride.

Molecular Properties

• Compound Name: 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride
• PubChem CID: 158505048
• Molecular Formula: C106H106Br3Cl2F5N24O13
• Molecular Weight: 2329.78 g/mol
• Exact Mass: 2324.52
• IUPAC Name: 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride
• SMILES: Brc1cccc(Br)n1.C1CCNC1.CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(N4CCCC4)n3)ccc2F)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(N4CCCC4)n3)ccc2F)n1.Cl.Cl.O=C(O)c1cc(O)ccc1F.O=C(O)c1cc(Oc2cccc(Br)n2)ccc1F.O=C(O)c1cc(Oc2cccc(N3CCCC3)n2)ccc1F
• InChI: InChI=1S/2C26H26FN7O2.C16H15FN2O3.C12H7BrFNO3.C10H13N5.C7H5FO3.C5H3Br2N.C4H9N.2ClH/c2*1-17(2)34-16-28-32-25(34)21-7-5-8-22(29-21)30-26(35)19-15-18(11-12-20(19)27)36-24-10-6-9-23(31-24)33-13-3-4-14-33;17-13-7-6-11(10-12(13)16(20)21)22-15-5-3-4-14(18-15)19-8-1-2-9-19;13-10-2-1-3-11(15-10)18-7-4-5-9(14)8(6-7)12(16)17;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;8-6-2-1-4(9)3-5(6)7(10)11;6-4-2-1-3-5(7)8-4;1-2-4-5-3-1;;/h2*5-12,15-17H,3-4,13-14H2,1-2H3,(H,29,30,35);3-7,10H,1-2,8-9H2,(H,20,21);1-6H,(H,16,17);3-7H,1-2H3,(H2,11,13);1-3,9H,(H,10,11);1-3H;5H,1-4H2;2*1H
• InChIKey: SXMLANRLUHBZDD-UHFFFAOYSA-N
• XLogP: 23.54
• TPSA: 470.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2329.78
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride?

The IUPAC name of 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride (CID 158505048) is 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride.

What is the SMILES notation for 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride?

The canonical SMILES for 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride is Brc1cccc(Br)n1.C1CCNC1.CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(N4CCCC4)n3)ccc2F)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(N4CCCC4)n3)ccc2F)n1.Cl.Cl.O=C(O)c1cc(O)ccc1F.O=C(O)c1cc(Oc2cccc(Br)n2)ccc1F.O=C(O)c1cc(Oc2cccc(N3CCCC3)n2)ccc1F.

What is the InChIKey of 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride?

The InChIKey is SXMLANRLUHBZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26FN7O2.C16H15FN2O3.C12H7BrFNO3.C10H13N5.C7H5FO3.C5H3Br2N.C4H9N.2ClH/c2*1-17(2)34-16-28-32-25(34)21-7-5-8-22(29-21)30-26(35)19-15-18(11-12-20(19)27)36-24-10-6-9-23(31-24)33-13-3-4-14-33;17-13-7-6-11(10-12(13)16(20)21)22-15-5-3-4-14(18-15)19-8-1-2-9-19;13-10-2-1-3-11(15-10)18-7-4-5-9(14)8(6-7)12(16)17;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;8-6-2-1-4(9)3-5(6)7(10)11;6-4-2-1-3-5(7)8-4;1-2-4-5-3-1;;/h2*5-12,15-17H,3-4,13-14H2,1-2H3,(H,29,30,35);3-7,10H,1-2,8-9H2,(H,20,21);1-6H,(H,16,17);3-7H,1-2H3,(H2,11,13);1-3,9H,(H,10,11);1-3H;5H,1-4H2;2*1H.

What are the key properties of 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride?

5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride has a molecular weight of 2329.78 g/mol, XLogP of 23.54, 24 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride is sourced from PubChem (CID 158505048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).