4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol

C93H106B2BrCl5N10O11 — CID 157416777

About 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol

4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol (PubChem CID 157416777) has the molecular formula C93H106B2BrCl5N10O11 and a molecular weight of 1818.72 g/mol. Its IUPAC name is 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol.

Molecular Properties

• Compound Name: 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol
• PubChem CID: 157416777
• Molecular Formula: C93H106B2BrCl5N10O11
• Molecular Weight: 1818.72 g/mol
• Exact Mass: 1814.59
• IUPAC Name: 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol
• SMILES: CC(C)(C)c1cc(-c2ccnc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2ccnc(-c3ccc(C(=O)O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2ccnc(Cl)c2)ccn1.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Clc1cc(Br)ccn1.O=COc1ccc(B(O)O)c(Cl)c1.OC1CCNCC1
• InChI: InChI=1S/C26H28ClN3O2.C21H19ClN2O2.C15H24BNO2.C14H15ClN2.C7H6BClO4.C5H3BrClN.C5H11NO/c1-26(2,3)24-16-18(7-11-29-24)17-6-10-28-23(15-17)21-5-4-19(14-22(21)27)25(32)30-12-8-20(31)9-13-30;1-21(2,3)19-12-14(7-9-24-19)13-6-8-23-18(11-13)16-5-4-15(20(25)26)10-17(16)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)12-8-10(4-6-16-12)11-5-7-17-13(15)9-11;9-7-3-5(13-4-10)1-2-6(7)8(11)12;6-4-1-2-8-5(7)3-4;7-5-1-3-6-4-2-5/h4-7,10-11,14-16,20,31H,8-9,12-13H2,1-3H3;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: BOYAFKKUXPZFEJ-UHFFFAOYSA-N
• XLogP: 19.37
• 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	1818.72
LogP ≤ 5	19.37
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 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol?

The IUPAC name of 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol (CID 157416777) is 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol.

What is the SMILES notation for 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol?

The canonical SMILES for 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol is CC(C)(C)c1cc(-c2ccnc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2ccnc(-c3ccc(C(=O)O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2ccnc(Cl)c2)ccn1.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Clc1cc(Br)ccn1.O=COc1ccc(B(O)O)c(Cl)c1.OC1CCNCC1.

What is the InChIKey of 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol?

The InChIKey is BOYAFKKUXPZFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2.C21H19ClN2O2.C15H24BNO2.C14H15ClN2.C7H6BClO4.C5H3BrClN.C5H11NO/c1-26(2,3)24-16-18(7-11-29-24)17-6-10-28-23(15-17)21-5-4-19(14-22(21)27)25(32)30-12-8-20(31)9-13-30;1-21(2,3)19-12-14(7-9-24-19)13-6-8-23-18(11-13)16-5-4-15(20(25)26)10-17(16)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)12-8-10(4-6-16-12)11-5-7-17-13(15)9-11;9-7-3-5(13-4-10)1-2-6(7)8(11)12;6-4-1-2-8-5(7)3-4;7-5-1-3-6-4-2-5/h4-7,10-11,14-16,20,31H,8-9,12-13H2,1-3H3;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 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol?

4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol has a molecular weight of 1818.72 g/mol, XLogP of 19.37, 11 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-chloropyridine;2-tert-butyl-4-(2-chloro-4-pyridinyl)pyridine;4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorobenzoic acid;[4-[4-(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;piperidin-4-ol is sourced from PubChem (CID 157416777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).