2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol

C93H106B2Br3Cl3N10O11 — CID 159956586

About 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol

2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol (PubChem CID 159956586) has the molecular formula C93H106B2Br3Cl3N10O11 and a molecular weight of 1907.62 g/mol. Its IUPAC name is 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol.

Molecular Properties

• Compound Name: 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol
• PubChem CID: 159956586
• Molecular Formula: C93H106B2Br3Cl3N10O11
• Molecular Weight: 1907.62 g/mol
• Exact Mass: 1902.48
• IUPAC Name: 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol
• SMILES: Brc1cccc(Br)n1.CC(C)(C)c1cc(-c2cccc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)n2)ccn1.CC(C)(C)c1cc(-c2cccc(-c3ccc(C(=O)O)cc3Cl)n2)ccn1.CC(C)(C)c1cc(-c2cccc(Br)n2)ccn1.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.O=COc1ccc(B(O)O)c(Cl)c1.OC1CCNCC1
• InChI: InChI=1S/C26H28ClN3O2.C21H19ClN2O2.C15H24BNO2.C14H15BrN2.C7H6BClO4.C5H3Br2N.C5H11NO/c1-26(2,3)24-16-17(9-12-28-24)22-5-4-6-23(29-22)20-8-7-18(15-21(20)27)25(32)30-13-10-19(31)11-14-30;1-21(2,3)19-12-13(9-10-23-19)17-5-4-6-18(24-17)15-8-7-14(20(25)26)11-16(15)22;1-13(2,3)12-10-11(8-9-17-12)16-18-14(4,5)15(6,7)19-16;1-14(2,3)12-9-10(7-8-16-12)11-5-4-6-13(15)17-11;9-7-3-5(13-4-10)1-2-6(7)8(11)12;6-4-2-1-3-5(7)8-4;7-5-1-3-6-4-2-5/h4-9,12,15-16,19,31H,10-11,13-14H2,1-3H3;4-12H,1-3H3,(H,25,26);8-10H,1-7H3;4-9H,1-3H3;1-4,11-12H;1-3H;5-7H,1-4H2
• InChIKey: OCUGQMRACBJKQO-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 298.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1907.62
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol?

The IUPAC name of 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol (CID 159956586) is 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol.

What is the SMILES notation for 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol?

The canonical SMILES for 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol is Brc1cccc(Br)n1.CC(C)(C)c1cc(-c2cccc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)n2)ccn1.CC(C)(C)c1cc(-c2cccc(-c3ccc(C(=O)O)cc3Cl)n2)ccn1.CC(C)(C)c1cc(-c2cccc(Br)n2)ccn1.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.O=COc1ccc(B(O)O)c(Cl)c1.OC1CCNCC1.

What is the InChIKey of 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol?

The InChIKey is OCUGQMRACBJKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2.C21H19ClN2O2.C15H24BNO2.C14H15BrN2.C7H6BClO4.C5H3Br2N.C5H11NO/c1-26(2,3)24-16-17(9-12-28-24)22-5-4-6-23(29-22)20-8-7-18(15-21(20)27)25(32)30-13-10-19(31)11-14-30;1-21(2,3)19-12-13(9-10-23-19)17-5-4-6-18(24-17)15-8-7-14(20(25)26)11-16(15)22;1-13(2,3)12-10-11(8-9-17-12)16-18-14(4,5)15(6,7)19-16;1-14(2,3)12-9-10(7-8-16-12)11-5-4-6-13(15)17-11;9-7-3-5(13-4-10)1-2-6(7)8(11)12;6-4-2-1-3-5(7)8-4;7-5-1-3-6-4-2-5/h4-9,12,15-16,19,31H,10-11,13-14H2,1-3H3;4-12H,1-3H3,(H,25,26);8-10H,1-7H3;4-9H,1-3H3;1-4,11-12H;1-3H;5-7H,1-4H2.

What are the key properties of 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol?

2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol has a molecular weight of 1907.62 g/mol, XLogP of 19.59, 11 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(2-tert-butyl-4-pyridinyl)pyridine;4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;(2-chloro-4-formyloxyphenyl)boronic acid;2,6-dibromopyridine;piperidin-4-ol is sourced from PubChem (CID 159956586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).