5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C49H61B3BrClF9N7O6 — CID 158266608

About 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158266608) has the molecular formula C49H61B3BrClF9N7O6 and a molecular weight of 1162.84 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158266608
• Molecular Formula: C49H61B3BrClF9N7O6
• Molecular Weight: 1162.84 g/mol
• Exact Mass: 1161.37
• IUPAC Name: 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ncc(-c2cccc(N)n2)cc1C(F)(F)F.Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F.Cc1ncc(Br)cc1C(F)(F)F.Nc1cccc(Cl)n1
• InChI: InChI=1S/C13H17BF3NO2.C12H24B2O4.C12H10F3N3.C7H5BrF3N.C5H5ClN2/c1-8-10(13(15,16)17)6-9(7-18-8)14-19-11(2,3)12(4,5)20-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-9(12(13,14)15)5-8(6-17-7)10-3-2-4-11(16)18-10;1-4-6(7(9,10)11)2-5(8)3-12-4;6-4-2-1-3-5(7)8-4/h6-7H,1-5H3;1-8H3;2-6H,1H3,(H2,16,18);2-3H,1H3;1-3H,(H2,7,8)
• InChIKey: GINDWWLFWDWSRR-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 171.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.84
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158266608) is 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ncc(-c2cccc(N)n2)cc1C(F)(F)F.Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F.Cc1ncc(Br)cc1C(F)(F)F.Nc1cccc(Cl)n1.

What is the InChIKey of 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is GINDWWLFWDWSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BF3NO2.C12H24B2O4.C12H10F3N3.C7H5BrF3N.C5H5ClN2/c1-8-10(13(15,16)17)6-9(7-18-8)14-19-11(2,3)12(4,5)20-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-9(12(13,14)15)5-8(6-17-7)10-3-2-4-11(16)18-10;1-4-6(7(9,10)11)2-5(8)3-12-4;6-4-2-1-3-5(7)8-4/h6-7H,1-5H3;1-8H3;2-6H,1H3,(H2,16,18);2-3H,1H3;1-3H,(H2,7,8).

What are the key properties of 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1162.84 g/mol, XLogP of 12.50, 3 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158266608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).