4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol

C90H91B2Br5Cl5N15O15 — CID 158181925

About 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol

4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol (PubChem CID 158181925) has the molecular formula C90H91B2Br5Cl5N15O15 and a molecular weight of 2221.22 g/mol. Its IUPAC name is 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol.

Molecular Properties

• Compound Name: 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol
• PubChem CID: 158181925
• Molecular Formula: C90H91B2Br5Cl5N15O15
• Molecular Weight: 2221.22 g/mol
• Exact Mass: 2213.14
• IUPAC Name: 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol
• SMILES: Brc1cncc(Br)n1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)n2)ccn1.CC(C)(C)c1cc(B(O)O)ccn1.COC(=O)c1ccc(-c2cncc(Br)n2)c(Cl)c1.COC(=O)c1ccc(B(O)O)c(Cl)c1.O=C(O)c1ccc(-c2cncc(Br)n2)c(Cl)c1.O=C(c1ccc(-c2cncc(Br)n2)c(Cl)c1)N1CCC(O)CC1.OC1CCNCC1
• InChI: InChI=1S/C25H27ClN4O2.C16H15BrClN3O2.C12H8BrClN2O2.C11H6BrClN2O2.C9H14BNO2.C8H8BClO4.C5H11NO.C4H2Br2N2/c1-25(2,3)23-13-16(6-9-28-23)21-14-27-15-22(29-21)19-5-4-17(12-20(19)26)24(32)30-10-7-18(31)8-11-30;17-15-9-19-8-14(20-15)12-2-1-10(7-13(12)18)16(23)21-5-3-11(22)4-6-21;1-18-12(17)7-2-3-8(9(14)4-7)10-5-15-6-11(13)16-10;12-10-5-14-4-9(15-10)7-2-1-6(11(16)17)3-8(7)13;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;7-5-1-3-6-4-2-5;5-3-1-7-2-4(6)8-3/h4-6,9,12-15,18,31H,7-8,10-11H2,1-3H3;1-2,7-9,11,22H,3-6H2;2-6H,1H3;1-5H,(H,16,17);4-6,12-13H,1-3H3;2-4,12-13H,1H3;5-7H,1-4H2;1-2H
• InChIKey: FYRTUJXKJXVEDL-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 438.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.22
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol?

The IUPAC name of 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol (CID 158181925) is 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol.

What is the SMILES notation for 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol?

The canonical SMILES for 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol is Brc1cncc(Br)n1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)n2)ccn1.CC(C)(C)c1cc(B(O)O)ccn1.COC(=O)c1ccc(-c2cncc(Br)n2)c(Cl)c1.COC(=O)c1ccc(B(O)O)c(Cl)c1.O=C(O)c1ccc(-c2cncc(Br)n2)c(Cl)c1.O=C(c1ccc(-c2cncc(Br)n2)c(Cl)c1)N1CCC(O)CC1.OC1CCNCC1.

What is the InChIKey of 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol?

The InChIKey is FYRTUJXKJXVEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2.C16H15BrClN3O2.C12H8BrClN2O2.C11H6BrClN2O2.C9H14BNO2.C8H8BClO4.C5H11NO.C4H2Br2N2/c1-25(2,3)23-13-16(6-9-28-23)21-14-27-15-22(29-21)19-5-4-17(12-20(19)26)24(32)30-10-7-18(31)8-11-30;17-15-9-19-8-14(20-15)12-2-1-10(7-13(12)18)16(23)21-5-3-11(22)4-6-21;1-18-12(17)7-2-3-8(9(14)4-7)10-5-15-6-11(13)16-10;12-10-5-14-4-9(15-10)7-2-1-6(11(16)17)3-8(7)13;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;7-5-1-3-6-4-2-5;5-3-1-7-2-4(6)8-3/h4-6,9,12-15,18,31H,7-8,10-11H2,1-3H3;1-2,7-9,11,22H,3-6H2;2-6H,1H3;1-5H,(H,16,17);4-6,12-13H,1-3H3;2-4,12-13H,1H3;5-7H,1-4H2;1-2H.

What are the key properties of 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol?

4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol has a molecular weight of 2221.22 g/mol, XLogP of 16.11, 12 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-bromopyrazin-2-yl)-3-chlorobenzoic acid;[4-(6-bromopyrazin-2-yl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-tert-butyl-4-pyridinyl)boronic acid;[4-[6-(2-tert-butyl-4-pyridinyl)pyrazin-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;(2-chloro-4-methoxycarbonylphenyl)boronic acid;2,6-dibromopyrazine;methyl 4-(6-bromopyrazin-2-yl)-3-chlorobenzoate;piperidin-4-ol is sourced from PubChem (CID 158181925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).