3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid

C102H115BClF8N13O11S2 — CID 167572841

About 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid

3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid (PubChem CID 167572841) has the molecular formula C102H115BClF8N13O11S2 and a molecular weight of 1961.50 g/mol. Its IUPAC name is 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid.

Molecular Properties

• Compound Name: 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid
• PubChem CID: 167572841
• Molecular Formula: C102H115BClF8N13O11S2
• Molecular Weight: 1961.50 g/mol
• Exact Mass: 1959.79
• IUPAC Name: 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](CCC(Nc2cccc(S(=O)(=O)NC(=O)c3cc(Cc4ccccc4)c(F)nc3F)n2)c2cc(C(C)(C)C)ccn2)CC1(C)C.CC1(C)CC[C@@H](CCC(Nc2cccc(S(N)(=O)=O)n2)c2cc(C(C)(C)C)ccn2)C1.ClCc1ccccc1.Fc1ccc(Cc2ccccc2)c(F)n1.O=C(O)c1cc(Cc2ccccc2)c(F)nc1F.OB(O)c1ccc(F)nc1F
• InChI: InChI=1S/C41H50F2N6O5S.C24H36N4O2S.C13H9F2NO2.C12H9F2N.C7H7Cl.C5H4BF2NO2/c1-39(2,3)29-19-20-44-32(23-29)31(18-17-27-24-41(7,8)49(25-27)38(51)54-40(4,5)6)45-33-15-12-16-34(46-33)55(52,53)48-37(50)30-22-28(35(42)47-36(30)43)21-26-13-10-9-11-14-26;1-23(2,3)18-12-14-26-20(15-18)19(10-9-17-11-13-24(4,5)16-17)27-21-7-6-8-22(28-21)31(25,29)30;14-11-9(6-8-4-2-1-3-5-8)7-10(13(17)18)12(15)16-11;13-11-7-6-10(12(14)15-11)8-9-4-2-1-3-5-9;8-6-7-4-2-1-3-5-7;7-4-2-1-3(6(10)11)5(8)9-4/h9-16,19-20,22-23,27,31H,17-18,21,24-25H2,1-8H3,(H,45,46)(H,48,50);6-8,12,14-15,17,19H,9-11,13,16H2,1-5H3,(H,27,28)(H2,25,29,30);1-5,7H,6H2,(H,17,18);1-7H,8H2;1-5H,6H2;1-2,10-11H/t27-,31?;17-,19?;;;;/m01..../s1
• InChIKey: GDHRAEWDRVLOBJ-OIHXPJTKSA-N
• XLogP: 20.37
• TPSA: 357.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.50
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

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 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid?

The IUPAC name of 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid (CID 167572841) is 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid.

What is the SMILES notation for 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid?

The canonical SMILES for 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid is CC(C)(C)OC(=O)N1C[C@@H](CCC(Nc2cccc(S(=O)(=O)NC(=O)c3cc(Cc4ccccc4)c(F)nc3F)n2)c2cc(C(C)(C)C)ccn2)CC1(C)C.CC1(C)CC[C@@H](CCC(Nc2cccc(S(N)(=O)=O)n2)c2cc(C(C)(C)C)ccn2)C1.ClCc1ccccc1.Fc1ccc(Cc2ccccc2)c(F)n1.O=C(O)c1cc(Cc2ccccc2)c(F)nc1F.OB(O)c1ccc(F)nc1F.

What is the InChIKey of 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid?

The InChIKey is GDHRAEWDRVLOBJ-OIHXPJTKSA-N. The full InChI is InChI=1S/C41H50F2N6O5S.C24H36N4O2S.C13H9F2NO2.C12H9F2N.C7H7Cl.C5H4BF2NO2/c1-39(2,3)29-19-20-44-32(23-29)31(18-17-27-24-41(7,8)49(25-27)38(51)54-40(4,5)6)45-33-15-12-16-34(46-33)55(52,53)48-37(50)30-22-28(35(42)47-36(30)43)21-26-13-10-9-11-14-26;1-23(2,3)18-12-14-26-20(15-18)19(10-9-17-11-13-24(4,5)16-17)27-21-7-6-8-22(28-21)31(25,29)30;14-11-9(6-8-4-2-1-3-5-8)7-10(13(17)18)12(15)16-11;13-11-7-6-10(12(14)15-11)8-9-4-2-1-3-5-9;8-6-7-4-2-1-3-5-7;7-4-2-1-3(6(10)11)5(8)9-4/h9-16,19-20,22-23,27,31H,17-18,21,24-25H2,1-8H3,(H,45,46)(H,48,50);6-8,12,14-15,17,19H,9-11,13,16H2,1-5H3,(H,27,28)(H2,25,29,30);1-5,7H,6H2,(H,17,18);1-7H,8H2;1-5H,6H2;1-2,10-11H/t27-,31?;17-,19?;;;;/m01..../s1.

What are the key properties of 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid?

3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid has a molecular weight of 1961.50 g/mol, XLogP of 20.37, 25 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 167572841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).