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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine

C64H57BBr2Cl4F6N12O8S3 — CID 158435409

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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine

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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 158435409) has the molecular formula C64H57BBr2Cl4F6N12O8S3 and a molecular weight of 1644.86 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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine.

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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine
• PubChem CID: 158435409
• Molecular Formula: C64H57BBr2Cl4F6N12O8S3
• Molecular Weight: 1644.86 g/mol
• Exact Mass: 1640.07
• 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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine
• SMILES: Cc1c(Br)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1c(Br)cnc(Cl)c1N.Cc1nccc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3C)ccn2)n1.Cc1nccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)n1.O=S(=O)(Cl)c1ccc(F)cc1F
• InChI: InChI=1S/C23H18ClF2N5O2S.C16H21BN4O2.C13H9BrClF2NO2S.C6H6BrClN2.C6H3ClF2O2S/c1-13-17(15-5-7-28-22(9-15)31-21-6-8-27-14(2)30-21)11-29-23(24)18(13)12-34(32,33)20-4-3-16(25)10-19(20)26;1-11-18-9-7-13(20-11)21-14-10-12(6-8-19-14)17-22-15(2,3)16(4,5)23-17;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/h3-11H,12H2,1-2H3,(H,27,28,30,31);6-10H,1-5H3,(H,18,19,20,21);2-5H,6H2,1H3;2H,9H2,1H3;1-3H
• InChIKey: HCDWRFZPIIEGBJ-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 286.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.86
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine?

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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine (CID 158435409) 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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine.

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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine?

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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine is Cc1c(Br)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1c(Br)cnc(Cl)c1N.Cc1nccc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3C)ccn2)n1.Cc1nccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)n1.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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine?

The InChIKey is HCDWRFZPIIEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5O2S.C16H21BN4O2.C13H9BrClF2NO2S.C6H6BrClN2.C6H3ClF2O2S/c1-13-17(15-5-7-28-22(9-15)31-21-6-8-27-14(2)30-21)11-29-23(24)18(13)12-34(32,33)20-4-3-16(25)10-19(20)26;1-11-18-9-7-13(20-11)21-14-10-12(6-8-19-14)17-22-15(2,3)16(4,5)23-17;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/h3-11H,12H2,1-2H3,(H,27,28,30,31);6-10H,1-5H3,(H,18,19,20,21);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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine?

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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 1644.86 g/mol, XLogP of 15.76, 13 rotatable bonds, 3 hydrogen bond donors, and 20 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]-2-methylpyrimidin-4-amine;2,4-difluorobenzenesulfonyl chloride;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 158435409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).