potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate

C32H47B3BrF6KN4O8 — CID 161350933

About potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate

potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate (PubChem CID 161350933) has the molecular formula C32H47B3BrF6KN4O8 and a molecular weight of 881.17 g/mol. Its IUPAC name is potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate.

Molecular Properties

• Compound Name: potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate
• PubChem CID: 161350933
• Molecular Formula: C32H47B3BrF6KN4O8
• Molecular Weight: 881.17 g/mol
• Exact Mass: 880.24
• IUPAC Name: potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate
• SMILES: CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(N)c(C(F)(F)F)c2)OC1(C)C.Nc1ncc(Br)cc1C(F)(F)F.[K+]
• InChI: InChI=1S/C12H24B2O4.C12H16BF3N2O2.C6H4BrF3N2.C2H4O2.K/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2)11(3,4)20-13(19-10)7-5-8(12(14,15)16)9(17)18-6-7;7-3-1-4(6(8,9)10)5(11)12-2-3;1-2(3)4;/h1-8H3;5-6H,1-4H3,(H2,17,18);1-2H,(H2,11,12);1H3,(H,3,4);/q;;;;+1/p-1
• InChIKey: VNXLKRZEBIFLHI-UHFFFAOYSA-M
• XLogP: 2.44
• TPSA: 173.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 2
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.17
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

The IUPAC name of potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate (CID 161350933) is potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate.

What is the SMILES notation for potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

The canonical SMILES for potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate is CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(N)c(C(F)(F)F)c2)OC1(C)C.Nc1ncc(Br)cc1C(F)(F)F.[K+].

What is the InChIKey of potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

The InChIKey is VNXLKRZEBIFLHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24B2O4.C12H16BF3N2O2.C6H4BrF3N2.C2H4O2.K/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2)11(3,4)20-13(19-10)7-5-8(12(14,15)16)9(17)18-6-7;7-3-1-4(6(8,9)10)5(11)12-2-3;1-2(3)4;/h1-8H3;5-6H,1-4H3,(H2,17,18);1-2H,(H2,11,12);1H3,(H,3,4);/q;;;;+1/p-1.

What are the key properties of potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate has a molecular weight of 881.17 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate is sourced from PubChem (CID 161350933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).