4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

C75H90BBr3Cl2N8O8 — CID 158492005

About 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 158492005) has the molecular formula C75H90BBr3Cl2N8O8 and a molecular weight of 1553.02 g/mol. Its IUPAC name is 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
• PubChem CID: 158492005
• Molecular Formula: C75H90BBr3Cl2N8O8
• Molecular Weight: 1553.02 g/mol
• Exact Mass: 1548.39
• IUPAC Name: 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
• SMILES: CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(C)(C)c1cc(Br)ccn1.CC(C)(O)c1cc(Br)ccn1.COC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.O=C(c1ccc(-c2cncc(Br)c2)c(Cl)c1)N1CCC(O)CC1
• InChI: InChI=1S/C26H28ClN3O3.C17H16BrClN2O2.C15H24BNO2.C9H12BrN.C8H10BrNO/c1-26(2,33-3)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;18-13-7-12(9-20-10-13)15-2-1-11(8-16(15)19)17(23)21-5-3-14(22)4-6-21;1-13(2,3)12-10-11(8-9-17-12)16-18-14(4,5)15(6,7)19-16;1-9(2,3)8-6-7(10)4-5-11-8;1-8(2,11)7-5-6(9)3-4-10-7/h4-6,9,12-16,21,31H,7-8,10-11H2,1-3H3;1-2,7-10,14,22H,3-6H2;8-10H,1-7H3;4-6H,1-3H3;3-5,11H,1-2H3
• InChIKey: HIUSRHSDQJUHFN-UHFFFAOYSA-N
• XLogP: 16.60
• TPSA: 206.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1553.02
LogP ≤ 5	16.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?

The IUPAC name of 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 158492005) is 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

What is the SMILES notation for 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?

The canonical SMILES for 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(C)(C)c1cc(Br)ccn1.CC(C)(O)c1cc(Br)ccn1.COC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.O=C(c1ccc(-c2cncc(Br)c2)c(Cl)c1)N1CCC(O)CC1.

What is the InChIKey of 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?

The InChIKey is HIUSRHSDQJUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3.C17H16BrClN2O2.C15H24BNO2.C9H12BrN.C8H10BrNO/c1-26(2,33-3)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;18-13-7-12(9-20-10-13)15-2-1-11(8-16(15)19)17(23)21-5-3-14(22)4-6-21;1-13(2,3)12-10-11(8-9-17-12)16-18-14(4,5)15(6,7)19-16;1-9(2,3)8-6-7(10)4-5-11-8;1-8(2,11)7-5-6(9)3-4-10-7/h4-6,9,12-16,21,31H,7-8,10-11H2,1-3H3;1-2,7-10,14,22H,3-6H2;8-10H,1-7H3;4-6H,1-3H3;3-5,11H,1-2H3.

What are the key properties of 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?

4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 1553.02 g/mol, XLogP of 16.60, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-tert-butylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;2-(4-bromo-2-pyridinyl)propan-2-ol;2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 158492005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).