4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol

C91H98B2Br3Cl4N9O13 — CID 159348124

About 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol

4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol (PubChem CID 159348124) has the molecular formula C91H98B2Br3Cl4N9O13 and a molecular weight of 1928.98 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol.

Molecular Properties

• Compound Name: 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol
• PubChem CID: 159348124
• Molecular Formula: C91H98B2Br3Cl4N9O13
• Molecular Weight: 1928.98 g/mol
• Exact Mass: 1923.38
• IUPAC Name: 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol
• SMILES: Brc1cncc(Br)c1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.O=C(O)c1ccc(-c2cncc(Br)c2)c(Cl)c1.O=COc1ccc(B(O)O)c(Cl)c1.OC1CCNCC1
• InChI: InChI=1S/C26H28ClN3O2.C21H19ClN2O2.C15H24BNO2.C12H7BrClNO2.C7H6BClO4.C5H3Br2N.C5H11NO/c1-26(2,3)24-14-17(6-9-29-24)19-12-20(16-28-15-19)22-5-4-18(13-23(22)27)25(32)30-10-7-21(31)8-11-30;1-21(2,3)19-10-13(6-7-24-19)15-8-16(12-23-11-15)17-5-4-14(20(25)26)9-18(17)22;1-13(2,3)12-10-11(8-9-17-12)16-18-14(4,5)15(6,7)19-16;13-9-3-8(5-15-6-9)10-2-1-7(12(16)17)4-11(10)14;9-7-3-5(13-4-10)1-2-6(7)8(11)12;6-4-1-5(7)3-8-2-4;7-5-1-3-6-4-2-5/h4-6,9,12-16,21,31H,7-8,10-11H2,1-3H3;4-12H,1-3H3,(H,25,26);8-10H,1-7H3;1-6H,(H,16,17);1-4,11-12H;1-3H;5-7H,1-4H2
• InChIKey: LGZFDSPBKXDMTC-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 322.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1928.98
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol?

The IUPAC name of 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol (CID 159348124) is 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol.

What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol?

The canonical SMILES for 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol is Brc1cncc(Br)c1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.O=C(O)c1ccc(-c2cncc(Br)c2)c(Cl)c1.O=COc1ccc(B(O)O)c(Cl)c1.OC1CCNCC1.

What is the InChIKey of 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol?

The InChIKey is LGZFDSPBKXDMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2.C21H19ClN2O2.C15H24BNO2.C12H7BrClNO2.C7H6BClO4.C5H3Br2N.C5H11NO/c1-26(2,3)24-14-17(6-9-29-24)19-12-20(16-28-15-19)22-5-4-18(13-23(22)27)25(32)30-10-7-21(31)8-11-30;1-21(2,3)19-10-13(6-7-24-19)15-8-16(12-23-11-15)17-5-4-14(20(25)26)9-18(17)22;1-13(2,3)12-10-11(8-9-17-12)16-18-14(4,5)15(6,7)19-16;13-9-3-8(5-15-6-9)10-2-1-7(12(16)17)4-11(10)14;9-7-3-5(13-4-10)1-2-6(7)8(11)12;6-4-1-5(7)3-8-2-4;7-5-1-3-6-4-2-5/h4-6,9,12-16,21,31H,7-8,10-11H2,1-3H3;4-12H,1-3H3,(H,25,26);8-10H,1-7H3;1-6H,(H,16,17);1-4,11-12H;1-3H;5-7H,1-4H2.

What are the key properties of 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol?

4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol has a molecular weight of 1928.98 g/mol, XLogP of 19.25, 12 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-bromo-3-pyridinyl)-3-chlorobenzoic acid;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-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;3,5-dibromopyridine;piperidin-4-ol is sourced from PubChem (CID 159348124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).