tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C66H90BCl4N7O15S — CID 158569917

About tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158569917) has the molecular formula C66H90BCl4N7O15S and a molecular weight of 1406.17 g/mol. Its IUPAC name is tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158569917
• Molecular Formula: C66H90BCl4N7O15S
• Molecular Weight: 1406.17 g/mol
• Exact Mass: 1403.51
• IUPAC Name: tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)CC1(C)C.CC(C)(C)OC(=O)c1ccc(C2=CCCCO2)nc1Cl.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC1(C)OB(C2=CCCCO2)OC1(C)C.O=C(O)c1ccc(C2=CCCCO2)nc1Cl
• InChI: InChI=1S/C19H32N4O4S.C15H18ClNO3.C11H19BO3.C11H10ClNO3.C10H11Cl2NO2/c1-18(2,3)27-17(24)23-13-14(12-19(23,4)5)8-7-11-21-15-9-6-10-16(22-15)28(20,25)26;1-15(2,3)20-14(18)10-7-8-11(17-13(10)16)12-6-4-5-9-19-12;1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9;12-10-7(11(14)15)4-5-8(13-10)9-3-1-2-6-16-9;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12/h6,9-10,14H,7-8,11-13H2,1-5H3,(H,21,22)(H2,20,25,26);6-8H,4-5,9H2,1-3H3;7H,5-6,8H2,1-4H3;3-5H,1-2,6H2,(H,14,15);4-5H,1-3H3/t14-;;;;/m0..../s1
• InChIKey: HRYJWGMVBJSXGH-XCYGSCDUSA-N
• XLogP: 15.04
• TPSA: 289.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1406.17
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158569917) is tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N1C[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)CC1(C)C.CC(C)(C)OC(=O)c1ccc(C2=CCCCO2)nc1Cl.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC1(C)OB(C2=CCCCO2)OC1(C)C.O=C(O)c1ccc(C2=CCCCO2)nc1Cl.

What is the InChIKey of tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is HRYJWGMVBJSXGH-XCYGSCDUSA-N. The full InChI is InChI=1S/C19H32N4O4S.C15H18ClNO3.C11H19BO3.C11H10ClNO3.C10H11Cl2NO2/c1-18(2,3)27-17(24)23-13-14(12-19(23,4)5)8-7-11-21-15-9-6-10-16(22-15)28(20,25)26;1-15(2,3)20-14(18)10-7-8-11(17-13(10)16)12-6-4-5-9-19-12;1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9;12-10-7(11(14)15)4-5-8(13-10)9-3-1-2-6-16-9;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12/h6,9-10,14H,7-8,11-13H2,1-5H3,(H,21,22)(H2,20,25,26);6-8H,4-5,9H2,1-3H3;7H,5-6,8H2,1-4H3;3-5H,1-2,6H2,(H,14,15);4-5H,1-3H3/t14-;;;;/m0..../s1.

What are the key properties of tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1406.17 g/mol, XLogP of 15.04, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-(3,4-dihydro-2H-pyran-6-yl)pyridine-3-carboxylic acid;2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158569917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).