5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C58H56BBr2ClF6N8O10S3 — CID 161277755

About 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 161277755) has the molecular formula C58H56BBr2ClF6N8O10S3 and a molecular weight of 1441.39 g/mol. Its IUPAC name is 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 161277755
• Molecular Formula: C58H56BBr2ClF6N8O10S3
• Molecular Weight: 1441.39 g/mol
• Exact Mass: 1438.13
• IUPAC Name: 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1ncc(Br)cc1CS(=O)(=O)c1ccc(F)cc1F.Cc1ncc(Br)cc1N.O=S(=O)(Cl)c1ccc(F)cc1F
• InChI: InChI=1S/C20H17F2N3O3S.C13H19BN2O3.C13H10BrF2NO2S.C6H7BrN2.C6H3ClF2O2S/c1-12-16(11-29(27,28)19-4-3-17(21)9-18(19)22)7-15(10-24-12)14-5-6-23-20(8-14)25-13(2)26;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-8-9(4-10(14)6-17-8)7-20(18,19)13-3-2-11(15)5-12(13)16;1-4-6(8)2-5(7)3-9-4;7-12(10,11)6-2-1-4(8)3-5(6)9/h3-10H,11H2,1-2H3,(H,23,25,26);6-8H,1-5H3,(H,15,16,17);2-6H,7H2,1H3;2-3H,8H2,1H3;1-3H
• InChIKey: VEQZFQGBLISUMX-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 269.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1441.39
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 161277755) is 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1ncc(Br)cc1CS(=O)(=O)c1ccc(F)cc1F.Cc1ncc(Br)cc1N.O=S(=O)(Cl)c1ccc(F)cc1F.

What is the InChIKey of 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is VEQZFQGBLISUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S.C13H19BN2O3.C13H10BrF2NO2S.C6H7BrN2.C6H3ClF2O2S/c1-12-16(11-29(27,28)19-4-3-17(21)9-18(19)22)7-15(10-24-12)14-5-6-23-20(8-14)25-13(2)26;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-8-9(4-10(14)6-17-8)7-20(18,19)13-3-2-11(15)5-12(13)16;1-4-6(8)2-5(7)3-9-4;7-12(10,11)6-2-1-4(8)3-5(6)9/h3-10H,11H2,1-2H3,(H,23,25,26);6-8H,1-5H3,(H,15,16,17);2-6H,7H2,1H3;2-3H,8H2,1H3;1-3H.

What are the key properties of 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 1441.39 g/mol, XLogP of 12.03, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;2,4-difluorobenzenesulfonyl chloride;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 161277755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).