2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid

C58H59B3BrClF15N15O6 — CID 165056435

About 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid

2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid (PubChem CID 165056435) has the molecular formula C58H59B3BrClF15N15O6 and a molecular weight of 1494.97 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid.

Molecular Properties

• Compound Name: 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid
• PubChem CID: 165056435
• Molecular Formula: C58H59B3BrClF15N15O6
• Molecular Weight: 1494.97 g/mol
• Exact Mass: 1493.37
• IUPAC Name: 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid
• SMILES: CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(Cl)nc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.FC(F)(F)c1cccc(Br)n1.OB(O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C20H15F6N7.C14H12ClF3N6.C12H24B2O4.C6H5BF3NO2.C6H3BrF3N/c1-10(2)33-9-28-15-17(29-11-6-7-27-14(8-11)20(24,25)26)31-16(32-18(15)33)12-4-3-5-13(30-12)19(21,22)23;1-7(2)24-6-20-10-11(22-13(15)23-12(10)24)21-8-3-4-19-9(5-8)14(16,17)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;8-6(9,10)4-2-1-3-5(11-4)7(12)13;7-5-3-1-2-4(11-5)6(8,9)10/h3-10H,1-2H3,(H,27,29,31,32);3-7H,1-2H3,(H,19,21,22,23);1-8H3;1-3,12-13H;1-3H
• InChIKey: QMTLPXSPKGVXIW-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 253.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1494.97
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid?

The IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid (CID 165056435) is 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid.

What is the SMILES notation for 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid?

The canonical SMILES for 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid is CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(Cl)nc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.FC(F)(F)c1cccc(Br)n1.OB(O)c1cccc(C(F)(F)F)n1.

What is the InChIKey of 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid?

The InChIKey is QMTLPXSPKGVXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N7.C14H12ClF3N6.C12H24B2O4.C6H5BF3NO2.C6H3BrF3N/c1-10(2)33-9-28-15-17(29-11-6-7-27-14(8-11)20(24,25)26)31-16(32-18(15)33)12-4-3-5-13(30-12)19(21,22)23;1-7(2)24-6-20-10-11(22-13(15)23-12(10)24)21-8-3-4-19-9(5-8)14(16,17)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;8-6(9,10)4-2-1-3-5(11-4)7(12)13;7-5-3-1-2-4(11-5)6(8,9)10/h3-10H,1-2H3,(H,27,29,31,32);3-7H,1-2H3,(H,19,21,22,23);1-8H3;1-3,12-13H;1-3H.

What are the key properties of 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid?

2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid has a molecular weight of 1494.97 g/mol, XLogP of 14.76, 9 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[6-(trifluoromethyl)-2-pyridinyl]boronic acid is sourced from PubChem (CID 165056435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).