5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

C91H86BBr5Cl5F4N19O18S4 — CID 160571437

About 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 160571437) has the molecular formula C91H86BBr5Cl5F4N19O18S4 and a molecular weight of 2525.66 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
• PubChem CID: 160571437
• Molecular Formula: C91H86BBr5Cl5F4N19O18S4
• Molecular Weight: 2525.66 g/mol
• Exact Mass: 2516.97
• IUPAC Name: 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
• SMILES: CNC(=O)C(C)Cn1cnc2ccc(-c3cnc(C)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)cc2c1=O.CNC(=O)C(C)Cn1cnc2ccc(Br)cc2c1=O.Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccc(F)cc1Cl.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1Cl.Cc1ncc(Br)cc1[N+](=O)[O-].Nc1ncc(Br)cc1[N+](=O)[O-].O=S(=O)(Cl)c1ccc(F)cc1Cl
• InChI: InChI=1S/C25H23ClFN5O4S.C18H21BClFN2O4S.C13H14BrN3O2.C12H9BrClFN2O2S.C6H5BrN2O2.C6H7BrN2.C6H3Cl2FO2S.C5H4BrN3O2/c1-14(24(33)28-3)12-32-13-30-21-6-4-16(8-19(21)25(32)34)17-9-22(15(2)29-11-17)31-37(35,36)23-7-5-18(27)10-20(23)26;1-11-15(23-28(24,25)16-7-6-13(21)9-14(16)20)8-12(10-22-11)19-26-17(2,3)18(4,5)27-19;1-8(12(18)15-2)6-17-7-16-11-4-3-9(14)5-10(11)13(17)19;1-7-11(4-8(13)6-16-7)17-20(18,19)12-3-2-9(15)5-10(12)14;1-4-6(9(10)11)2-5(7)3-8-4;1-4-6(8)2-5(7)3-9-4;7-5-3-4(9)1-2-6(5)12(8,10)11;6-3-1-4(9(10)11)5(7)8-2-3/h4-11,13-14,31H,12H2,1-3H3,(H,28,33);6-10,23H,1-5H3;3-5,7-8H,6H2,1-2H3,(H,15,18);2-6,17H,1H3;2-3H,1H3;2-3H,8H2,1H3;1-3H;1-2H,(H2,7,8)
• InChIKey: RAPITLOWJLFNKP-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 534.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2525.66
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The IUPAC name of 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 160571437) is 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

What is the SMILES notation for 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The canonical SMILES for 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)C(C)Cn1cnc2ccc(-c3cnc(C)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)cc2c1=O.CNC(=O)C(C)Cn1cnc2ccc(Br)cc2c1=O.Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccc(F)cc1Cl.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1Cl.Cc1ncc(Br)cc1[N+](=O)[O-].Nc1ncc(Br)cc1[N+](=O)[O-].O=S(=O)(Cl)c1ccc(F)cc1Cl.

What is the InChIKey of 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The InChIKey is RAPITLOWJLFNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O4S.C18H21BClFN2O4S.C13H14BrN3O2.C12H9BrClFN2O2S.C6H5BrN2O2.C6H7BrN2.C6H3Cl2FO2S.C5H4BrN3O2/c1-14(24(33)28-3)12-32-13-30-21-6-4-16(8-19(21)25(32)34)17-9-22(15(2)29-11-17)31-37(35,36)23-7-5-18(27)10-20(23)26;1-11-15(23-28(24,25)16-7-6-13(21)9-14(16)20)8-12(10-22-11)19-26-17(2,3)18(4,5)27-19;1-8(12(18)15-2)6-17-7-16-11-4-3-9(14)5-10(11)13(17)19;1-7-11(4-8(13)6-16-7)17-20(18,19)12-3-2-9(15)5-10(12)14;1-4-6(9(10)11)2-5(7)3-8-4;1-4-6(8)2-5(7)3-9-4;7-5-3-4(9)1-2-6(5)12(8,10)11;6-3-1-4(9(10)11)5(7)8-2-3/h4-11,13-14,31H,12H2,1-3H3,(H,28,33);6-10,23H,1-5H3;3-5,7-8H,6H2,1-2H3,(H,15,18);2-6,17H,1H3;2-3H,1H3;2-3H,8H2,1H3;1-3H;1-2H,(H2,7,8).

What are the key properties of 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 2525.66 g/mol, XLogP of 19.85, 20 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-methyl-3-nitropyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-2-chloro-4-fluorobenzenesulfonamide;5-bromo-3-nitropyridin-2-amine;3-(6-bromo-4-oxoquinazolin-3-yl)-N,2-dimethylpropanamide;2-chloro-4-fluorobenzenesulfonyl chloride;2-chloro-4-fluoro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 160571437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).