5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid

C156H178B2Br2Cl5N23O18 — CID 161354782

About 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid

5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid (PubChem CID 161354782) has the molecular formula C156H178B2Br2Cl5N23O18 and a molecular weight of 3021.98 g/mol. Its IUPAC name is 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid.

Molecular Properties

• Compound Name: 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid
• PubChem CID: 161354782
• Molecular Formula: C156H178B2Br2Cl5N23O18
• Molecular Weight: 3021.98 g/mol
• Exact Mass: 3016.07
• IUPAC Name: 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid
• SMILES: C.C.C.C.C.CC(C)(C)OC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12.CC(C)(C)OC(=O)N[C@H](COc1cnc(Cl)c(Br)c1)Cc1c[nH]c2ccccc12.Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)cnc3Cl)cc12.Cc1[nH]nc2ccc(B(O)O)cc12.ClCCl.OB(O)c1ccccc1.Oc1cnc(Cl)c(Br)c1
• InChI: InChI=1S/C35H35N5O3.C30H27N5O.C29H30ClN5O3.C21H23BrClN3O3.C16H22N2O3.C8H9BN2O2.C6H7BO2.C5H3BrClNO.CH2Cl2.5CH4/c1-22-29-17-24(14-15-32(29)40-39-22)30-18-27(20-37-33(30)23-10-6-5-7-11-23)42-21-26(38-34(41)43-35(2,3)4)16-25-19-36-31-13-9-8-12-28(25)31;1-19-26-14-21(11-12-29(26)35-34-19)27-15-24(17-33-30(27)20-7-3-2-4-8-20)36-18-23(31)13-22-16-32-28-10-6-5-9-25(22)28;1-17-23-12-18(9-10-26(23)35-34-17)24-13-21(15-32-27(24)30)37-16-20(33-28(36)38-29(2,3)4)11-19-14-31-25-8-6-5-7-22(19)25;1-21(2,3)29-20(27)26-14(12-28-15-9-17(22)19(23)25-11-15)8-13-10-24-18-7-5-4-6-16(13)18;1-16(2,3)21-15(20)18-12(10-19)8-11-9-17-14-7-5-4-6-13(11)14;1-5-7-4-6(9(12)13)2-3-8(7)11-10-5;8-7(9)6-4-2-1-3-5-6;6-4-1-3(9)2-8-5(4)7;2-1-3;;;;;/h5-15,17-20,26,36H,16,21H2,1-4H3,(H,38,41)(H,39,40);2-12,14-17,23,32H,13,18,31H2,1H3,(H,34,35);5-10,12-15,20,31H,11,16H2,1-4H3,(H,33,36)(H,34,35);4-7,9-11,14,24H,8,12H2,1-3H3,(H,26,27);4-7,9,12,17,19H,8,10H2,1-3H3,(H,18,20);2-4,12-13H,1H3,(H,10,11);1-5,8-9H;1-2,9H;1H2;5*1H4/t26-;23-;20-;14-;12-;;;;;;;;;/m00000........./s1
• InChIKey: VOJYAVNSOFBHKS-MMGHGHQTSA-N
• XLogP: 34.02
• TPSA: 595.76 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3021.98
LogP ≤ 5	34.02
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid?

The IUPAC name of 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid (CID 161354782) is 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid.

What is the SMILES notation for 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid?

The canonical SMILES for 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid is C.C.C.C.C.CC(C)(C)OC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12.CC(C)(C)OC(=O)N[C@H](COc1cnc(Cl)c(Br)c1)Cc1c[nH]c2ccccc12.Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)cnc3Cl)cc12.Cc1[nH]nc2ccc(B(O)O)cc12.ClCCl.OB(O)c1ccccc1.Oc1cnc(Cl)c(Br)c1.

What is the InChIKey of 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid?

The InChIKey is VOJYAVNSOFBHKS-MMGHGHQTSA-N. The full InChI is InChI=1S/C35H35N5O3.C30H27N5O.C29H30ClN5O3.C21H23BrClN3O3.C16H22N2O3.C8H9BN2O2.C6H7BO2.C5H3BrClNO.CH2Cl2.5CH4/c1-22-29-17-24(14-15-32(29)40-39-22)30-18-27(20-37-33(30)23-10-6-5-7-11-23)42-21-26(38-34(41)43-35(2,3)4)16-25-19-36-31-13-9-8-12-28(25)31;1-19-26-14-21(11-12-29(26)35-34-19)27-15-24(17-33-30(27)20-7-3-2-4-8-20)36-18-23(31)13-22-16-32-28-10-6-5-9-25(22)28;1-17-23-12-18(9-10-26(23)35-34-17)24-13-21(15-32-27(24)30)37-16-20(33-28(36)38-29(2,3)4)11-19-14-31-25-8-6-5-7-22(19)25;1-21(2,3)29-20(27)26-14(12-28-15-9-17(22)19(23)25-11-15)8-13-10-24-18-7-5-4-6-16(13)18;1-16(2,3)21-15(20)18-12(10-19)8-11-9-17-14-7-5-4-6-13(11)14;1-5-7-4-6(9(12)13)2-3-8(7)11-10-5;8-7(9)6-4-2-1-3-5-6;6-4-1-3(9)2-8-5(4)7;2-1-3;;;;;/h5-15,17-20,26,36H,16,21H2,1-4H3,(H,38,41)(H,39,40);2-12,14-17,23,32H,13,18,31H2,1H3,(H,34,35);5-10,12-15,20,31H,11,16H2,1-4H3,(H,33,36)(H,34,35);4-7,9-11,14,24H,8,12H2,1-3H3,(H,26,27);4-7,9,12,17,19H,8,10H2,1-3H3,(H,18,20);2-4,12-13H,1H3,(H,10,11);1-5,8-9H;1-2,9H;1H2;5*1H4/t26-;23-;20-;14-;12-;;;;;;;;;/m00000........./s1.

What are the key properties of 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid?

5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid has a molecular weight of 3021.98 g/mol, XLogP of 34.02, 34 rotatable bonds, 20 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid is sourced from PubChem (CID 161354782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).