3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C141H172B3Br2F6I2N21O18S2 — CID 158057389

About 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158057389) has the molecular formula C141H172B3Br2F6I2N21O18S2 and a molecular weight of 3073.23 g/mol. Its IUPAC name is 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158057389
• Molecular Formula: C141H172B3Br2F6I2N21O18S2
• Molecular Weight: 3073.23 g/mol
• Exact Mass: 3069.93
• IUPAC Name: 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cncc(I)c1.CC(C)(C)OC(=O)N1CCCC(N)C1.CC(C)(C)OC(=O)N1CCCC(Nc2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1.CC(C)(C)OC(=O)N1CCCC(Nc2cncc(Br)c2)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ccc(S(=O)(=O)n2cc(-c3cncc(NC4CCCN(C(=O)OC(C)(C)C)C4)c3)c3nc(-c4c(F)cccc4F)ccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3nc(-c4c(F)cccc4F)ccc32)cc1.Fc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(NC4CCCNC4)c3)c2n1
• InChI: InChI=1S/C35H35F2N5O4S.C23H21F2N5.C21H34BN3O4.C20H13F2IN2O2S.C15H22BrN3O2.C12H24B2O4.C10H20N2O2.C5H3BrIN/c1-22-10-12-26(13-11-22)47(44,45)42-21-27(33-31(42)15-14-30(40-33)32-28(36)8-5-9-29(32)37)23-17-25(19-38-18-23)39-24-7-6-16-41(20-24)34(43)46-35(2,3)4;24-18-4-1-5-19(25)22(18)20-6-7-21-23(30-20)17(13-28-21)14-9-16(12-27-10-14)29-15-3-2-8-26-11-15;1-19(2,3)27-18(26)25-10-8-9-16(14-25)24-17-11-15(12-23-13-17)22-28-20(4,5)21(6,7)29-22;1-12-5-7-13(8-6-12)28(26,27)25-11-16(23)20-18(25)10-9-17(24-20)19-14(21)3-2-4-15(19)22;1-15(2,3)21-14(20)19-6-4-5-12(10-19)18-13-7-11(16)8-17-9-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;6-4-1-5(7)3-8-2-4/h5,8-15,17-19,21,24,39H,6-7,16,20H2,1-4H3;1,4-7,9-10,12-13,15,26,28-29H,2-3,8,11H2;11-13,16,24H,8-10,14H2,1-7H3;2-11H,1H3;7-9,12,18H,4-6,10H2,1-3H3;1-8H3;8H,4-7,11H2,1-3H3;1-3H
• InChIKey: FKFKMKZHIKALCU-UHFFFAOYSA-N
• XLogP: 30.16
• TPSA: 456.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3073.23
LogP ≤ 5	30.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158057389) is 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cncc(I)c1.CC(C)(C)OC(=O)N1CCCC(N)C1.CC(C)(C)OC(=O)N1CCCC(Nc2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1.CC(C)(C)OC(=O)N1CCCC(Nc2cncc(Br)c2)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ccc(S(=O)(=O)n2cc(-c3cncc(NC4CCCN(C(=O)OC(C)(C)C)C4)c3)c3nc(-c4c(F)cccc4F)ccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3nc(-c4c(F)cccc4F)ccc32)cc1.Fc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(NC4CCCNC4)c3)c2n1.

What is the InChIKey of 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is FKFKMKZHIKALCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F2N5O4S.C23H21F2N5.C21H34BN3O4.C20H13F2IN2O2S.C15H22BrN3O2.C12H24B2O4.C10H20N2O2.C5H3BrIN/c1-22-10-12-26(13-11-22)47(44,45)42-21-27(33-31(42)15-14-30(40-33)32-28(36)8-5-9-29(32)37)23-17-25(19-38-18-23)39-24-7-6-16-41(20-24)34(43)46-35(2,3)4;24-18-4-1-5-19(25)22(18)20-6-7-21-23(30-20)17(13-28-21)14-9-16(12-27-10-14)29-15-3-2-8-26-11-15;1-19(2,3)27-18(26)25-10-8-9-16(14-25)24-17-11-15(12-23-13-17)22-28-20(4,5)21(6,7)29-22;1-12-5-7-13(8-6-12)28(26,27)25-11-16(23)20-18(25)10-9-17(24-20)19-14(21)3-2-4-15(19)22;1-15(2,3)21-14(20)19-6-4-5-12(10-19)18-13-7-11(16)8-17-9-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;6-4-1-5(7)3-8-2-4/h5,8-15,17-19,21,24,39H,6-7,16,20H2,1-4H3;1,4-7,9-10,12-13,15,26,28-29H,2-3,8,11H2;11-13,16,24H,8-10,14H2,1-7H3;2-11H,1H3;7-9,12,18H,4-6,10H2,1-3H3;1-8H3;8H,4-7,11H2,1-3H3;1-3H.

What are the key properties of 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3073.23 g/mol, XLogP of 30.16, 19 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-iodopyridine;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 3-[[5-[5-(2,6-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]amino]piperidine-1-carboxylate;5-(2,6-difluorophenyl)-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine;5-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-N-piperidin-3-ylpyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158057389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).