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

C62H57BBr2Cl4F6N8O10S3 — CID 159388920

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

5-bromo-2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methylpyridine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;2,4-difluorobenzenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 159388920) has the molecular formula C62H57BBr2Cl4F6N8O10S3 and a molecular weight of 1596.80 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methylpyridine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;2,4-difluorobenzenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 5-bromo-2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methylpyridine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;2,4-difluorobenzenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 159388920
• Molecular Formula: C62H57BBr2Cl4F6N8O10S3
• Molecular Weight: 1596.80 g/mol
• Exact Mass: 1592.05
• IUPAC Name: 5-bromo-2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methylpyridine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;2,4-difluorobenzenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
• SMILES: CC1(C)OB(c2ccnc(NC(=O)C3CC3)c2)OC1(C)C.Cc1c(-c2ccnc(NC(=O)C3CC3)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1c(Br)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1c(Br)cnc(Cl)c1N.O=S(=O)(Cl)c1ccc(F)cc1F
• InChI: InChI=1S/C22H18ClF2N3O3S.C15H21BN2O3.C13H9BrClF2NO2S.C6H6BrClN2.C6H3ClF2O2S/c1-12-16(14-6-7-26-20(8-14)28-22(29)13-2-3-13)10-27-21(23)17(12)11-32(30,31)19-5-4-15(24)9-18(19)25;1-14(2)15(3,4)21-16(20-14)11-7-8-17-12(9-11)18-13(19)10-5-6-10;1-7-9(13(15)18-5-10(7)14)6-21(19,20)12-3-2-8(16)4-11(12)17;1-3-4(7)2-10-6(8)5(3)9;7-12(10,11)6-2-1-4(8)3-5(6)9/h4-10,13H,2-3,11H2,1H3,(H,26,28,29);7-10H,5-6H2,1-4H3,(H,17,18,19);2-5H,6H2,1H3;2H,9H2,1H3;1-3H
• InChIKey: LLWBTYKMKFZZSM-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 269.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.80
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-bromo-2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methylpyridine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;2,4-difluorobenzenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]cyclopropanecarboxamide (CID 159388920) is 5-bromo-2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methylpyridine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;2,4-difluorobenzenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]cyclopropanecarboxamide.

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

The canonical SMILES for 5-bromo-2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methylpyridine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;2,4-difluorobenzenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]cyclopropanecarboxamide is CC1(C)OB(c2ccnc(NC(=O)C3CC3)c2)OC1(C)C.Cc1c(-c2ccnc(NC(=O)C3CC3)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1c(Br)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1c(Br)cnc(Cl)c1N.O=S(=O)(Cl)c1ccc(F)cc1F.

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

The InChIKey is LLWBTYKMKFZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N3O3S.C15H21BN2O3.C13H9BrClF2NO2S.C6H6BrClN2.C6H3ClF2O2S/c1-12-16(14-6-7-26-20(8-14)28-22(29)13-2-3-13)10-27-21(23)17(12)11-32(30,31)19-5-4-15(24)9-18(19)25;1-14(2)15(3,4)21-16(20-14)11-7-8-17-12(9-11)18-13(19)10-5-6-10;1-7-9(13(15)18-5-10(7)14)6-21(19,20)12-3-2-8(16)4-11(12)17;1-3-4(7)2-10-6(8)5(3)9;7-12(10,11)6-2-1-4(8)3-5(6)9/h4-10,13H,2-3,11H2,1H3,(H,26,28,29);7-10H,5-6H2,1-4H3,(H,17,18,19);2-5H,6H2,1H3;2H,9H2,1H3;1-3H.

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

5-bromo-2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methylpyridine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;2,4-difluorobenzenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 1596.80 g/mol, XLogP of 14.77, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methylpyridine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;2,4-difluorobenzenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 159388920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).