[4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

C51H65B4BrN6O8 — CID 162149293

About [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

[4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (PubChem CID 162149293) has the molecular formula C51H65B4BrN6O8 and a molecular weight of 1013.27 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
• PubChem CID: 162149293
• Molecular Formula: C51H65B4BrN6O8
• Molecular Weight: 1013.27 g/mol
• Exact Mass: 1012.44
• IUPAC Name: [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc(-c3ccc(N)nc3)cc2)OC1(C)C.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.Nc1ccc(-c2ccc(B(O)O)cc2)cn1.Nc1ccc(Br)cn1
• InChI: InChI=1S/C18H28B2O4.C17H21BN2O2.C11H11BN2O2.C5H5BrN2/c1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;1-16(2)17(3,4)22-18(21-16)14-8-5-12(6-9-14)13-7-10-15(19)20-11-13;13-11-6-3-9(7-14-11)8-1-4-10(5-2-8)12(15)16;6-4-1-2-5(7)8-3-4/h9-12H,1-8H3;5-11H,1-4H3,(H2,19,20);1-7,15-16H,(H2,13,14);1-3H,(H2,7,8)
• InChIKey: ZKZBQDYEQXAOIG-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 212.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1013.27
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	5
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-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The IUPAC name of [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (CID 162149293) is [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(-c3ccc(N)nc3)cc2)OC1(C)C.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.Nc1ccc(-c2ccc(B(O)O)cc2)cn1.Nc1ccc(Br)cn1.

What is the InChIKey of [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The InChIKey is ZKZBQDYEQXAOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28B2O4.C17H21BN2O2.C11H11BN2O2.C5H5BrN2/c1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;1-16(2)17(3,4)22-18(21-16)14-8-5-12(6-9-14)13-7-10-15(19)20-11-13;13-11-6-3-9(7-14-11)8-1-4-10(5-2-8)12(15)16;6-4-1-2-5(7)8-3-4/h9-12H,1-8H3;5-11H,1-4H3,(H2,19,20);1-7,15-16H,(H2,13,14);1-3H,(H2,7,8).

What are the key properties of [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

[4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 1013.27 g/mol, XLogP of 6.35, 6 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-amino-3-pyridinyl)phenyl]boronic acid;5-bromopyridin-2-amine;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 162149293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).