(2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol

C114H113B2Br3Cl5F5N6O15 — CID 157340774

About (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol

(2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol (PubChem CID 157340774) has the molecular formula C114H113B2Br3Cl5F5N6O15 and a molecular weight of 2340.78 g/mol. Its IUPAC name is (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol.

Molecular Properties

• Compound Name: (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol
• PubChem CID: 157340774
• Molecular Formula: C114H113B2Br3Cl5F5N6O15
• Molecular Weight: 2340.78 g/mol
• Exact Mass: 2334.44
• IUPAC Name: (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol
• SMILES: CC(C)(C)c1cc(-c2cc(F)cc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cc(F)cc(-c3ccc(C(=O)O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(B(O)O)ccn1.COC(=O)c1ccc(-c2cc(F)cc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.COC(=O)c1ccc(-c2cc(F)cc(Br)c2)c(Cl)c1.COC(=O)c1ccc(B(O)O)c(Cl)c1.Fc1cc(Br)cc(Br)c1.OC1CCNCC1
• InChI: InChI=1S/C27H28ClFN2O2.C23H21ClFNO2.C22H19ClFNO2.C14H9BrClFO2.C9H14BNO2.C8H8BClO4.C6H3Br2F.C5H11NO/c1-27(2,3)25-16-17(6-9-30-25)19-12-20(14-21(29)13-19)23-5-4-18(15-24(23)28)26(33)31-10-7-22(32)8-11-31;1-23(2,3)21-13-14(7-8-26-21)16-9-17(11-18(25)10-16)19-6-5-15(12-20(19)24)22(27)28-4;1-22(2,3)20-12-13(6-7-25-20)15-8-16(10-17(24)9-15)18-5-4-14(21(26)27)11-19(18)23;1-19-14(18)8-2-3-12(13(16)6-8)9-4-10(15)7-11(17)5-9;1-9(2,3)8-6-7(10(12)13)4-5-11-8;1-14-8(11)5-2-3-6(9(12)13)7(10)4-5;7-4-1-5(8)3-6(9)2-4;7-5-1-3-6-4-2-5/h4-6,9,12-16,22,32H,7-8,10-11H2,1-3H3;5-13H,1-4H3;4-12H,1-3H3,(H,26,27);2-7H,1H3;4-6,12-13H,1-3H3;2-4,12-13H,1H3;1-3H;5-7H,1-4H2
• InChIKey: BGJFFHPGCPDSKN-UHFFFAOYSA-N
• XLogP: 26.24
• TPSA: 321.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2340.78
LogP ≤ 5	26.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol?

The IUPAC name of (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol (CID 157340774) is (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol.

What is the SMILES notation for (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol?

The canonical SMILES for (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol is CC(C)(C)c1cc(-c2cc(F)cc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cc(F)cc(-c3ccc(C(=O)O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(B(O)O)ccn1.COC(=O)c1ccc(-c2cc(F)cc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.COC(=O)c1ccc(-c2cc(F)cc(Br)c2)c(Cl)c1.COC(=O)c1ccc(B(O)O)c(Cl)c1.Fc1cc(Br)cc(Br)c1.OC1CCNCC1.

What is the InChIKey of (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol?

The InChIKey is BGJFFHPGCPDSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN2O2.C23H21ClFNO2.C22H19ClFNO2.C14H9BrClFO2.C9H14BNO2.C8H8BClO4.C6H3Br2F.C5H11NO/c1-27(2,3)25-16-17(6-9-30-25)19-12-20(14-21(29)13-19)23-5-4-18(15-24(23)28)26(33)31-10-7-22(32)8-11-31;1-23(2,3)21-13-14(7-8-26-21)16-9-17(11-18(25)10-16)19-6-5-15(12-20(19)24)22(27)28-4;1-22(2,3)20-12-13(6-7-25-20)15-8-16(10-17(24)9-15)18-5-4-14(21(26)27)11-19(18)23;1-19-14(18)8-2-3-12(13(16)6-8)9-4-10(15)7-11(17)5-9;1-9(2,3)8-6-7(10(12)13)4-5-11-8;1-14-8(11)5-2-3-6(9(12)13)7(10)4-5;7-4-1-5(8)3-6(9)2-4;7-5-1-3-6-4-2-5/h4-6,9,12-16,22,32H,7-8,10-11H2,1-3H3;5-13H,1-4H3;4-12H,1-3H3,(H,26,27);2-7H,1H3;4-6,12-13H,1-3H3;2-4,12-13H,1H3;1-3H;5-7H,1-4H2.

What are the key properties of (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol?

(2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol has a molecular weight of 2340.78 g/mol, XLogP of 26.24, 14 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2-tert-butyl-4-pyridinyl)boronic acid;4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoic acid;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;1,3-dibromo-5-fluorobenzene;methyl 4-(3-bromo-5-fluorophenyl)-3-chlorobenzoate;methyl 4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorobenzoate;piperidin-4-ol is sourced from PubChem (CID 157340774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).