5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C61H78B3Br3Cl6N14O18S7 — CID 159915653

About 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159915653) has the molecular formula C61H78B3Br3Cl6N14O18S7 and a molecular weight of 2004.71 g/mol. Its IUPAC name is 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;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: 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159915653
• Molecular Formula: C61H78B3Br3Cl6N14O18S7
• Molecular Weight: 2004.71 g/mol
• Exact Mass: 1997.96
• IUPAC Name: 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(C)(=O)=O)c3)nc2s1.CC(=O)Nc1nc2ccc(Br)nc2s1.CC(Cl)Cl.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(Cl)c(N(S(C)(=O)=O)S(C)(=O)=O)c2)OC1(C)C.CS(=O)(=O)N(c1cc(Br)cnc1Cl)S(C)(=O)=O.Nc1cc(Br)cnc1Cl
• InChI: InChI=1S/C14H12ClN5O3S2.C13H20BClN2O6S2.C12H24B2O4.C8H6BrN3OS.C7H8BrClN2O4S2.C5H4BrClN2.C2H4Cl2/c1-7(21)17-14-19-10-4-3-9(18-13(10)24-14)8-5-11(12(15)16-6-8)20-25(2,22)23;1-12(2)13(3,4)23-14(22-12)9-7-10(11(15)16-8-9)17(24(5,18)19)25(6,20)21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4(13)10-8-11-5-2-3-6(9)12-7(5)14-8;1-16(12,13)11(17(2,14)15)6-3-5(8)4-10-7(6)9;6-3-1-4(8)5(7)9-2-3;1-2(3)4/h3-6,20H,1-2H3,(H,17,19,21);7-8H,1-6H3;1-8H3;2-3H,1H3,(H,10,11,13);3-4H,1-2H3;1-2H,8H2;2H,1H3
• InChIKey: NXTAIMQXVGYHRW-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 431.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2004.71
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'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-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;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 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159915653) is 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;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 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;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 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(C)(=O)=O)c3)nc2s1.CC(=O)Nc1nc2ccc(Br)nc2s1.CC(Cl)Cl.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(Cl)c(N(S(C)(=O)=O)S(C)(=O)=O)c2)OC1(C)C.CS(=O)(=O)N(c1cc(Br)cnc1Cl)S(C)(=O)=O.Nc1cc(Br)cnc1Cl.

What is the InChIKey of 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is NXTAIMQXVGYHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O3S2.C13H20BClN2O6S2.C12H24B2O4.C8H6BrN3OS.C7H8BrClN2O4S2.C5H4BrClN2.C2H4Cl2/c1-7(21)17-14-19-10-4-3-9(18-13(10)24-14)8-5-11(12(15)16-6-8)20-25(2,22)23;1-12(2)13(3,4)23-14(22-12)9-7-10(11(15)16-8-9)17(24(5,18)19)25(6,20)21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4(13)10-8-11-5-2-3-6(9)12-7(5)14-8;1-16(12,13)11(17(2,14)15)6-3-5(8)4-10-7(6)9;6-3-1-4(8)5(7)9-2-3;1-2(3)4/h3-6,20H,1-2H3,(H,17,19,21);7-8H,1-6H3;1-8H3;2-3H,1H3,(H,10,11,13);3-4H,1-2H3;1-2H,8H2;2H,1H3.

What are the key properties of 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;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 2004.71 g/mol, XLogP of 13.27, 13 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;1,1-dichloroethane;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 159915653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).