4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline

C48H43BBr3F15N8O2 — CID 162250939

About 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline

4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline (PubChem CID 162250939) has the molecular formula C48H43BBr3F15N8O2 and a molecular weight of 1299.42 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline
• PubChem CID: 162250939
• Molecular Formula: C48H43BBr3F15N8O2
• Molecular Weight: 1299.42 g/mol
• Exact Mass: 1296.09
• IUPAC Name: 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline
• SMILES: Cc1cc(Br)cc(C(F)(F)F)c1N.Cc1cccc(C(F)(F)F)c1N.Cn1ncc2cc(B3OC(C)(C)C(C)(C)O3)cc(C(F)(F)F)c21.Cn1ncc2cc(Br)cc(C(F)(F)F)c21.FC(F)(F)c1cc(Br)cc2cn[nH]c12
• InChI: InChI=1S/C15H18BF3N2O2.C9H6BrF3N2.C8H4BrF3N2.C8H7BrF3N.C8H8F3N/c1-13(2)14(3,4)23-16(22-13)10-6-9-8-20-21(5)12(9)11(7-10)15(17,18)19;1-15-8-5(4-14-15)2-6(10)3-7(8)9(11,12)13;9-5-1-4-3-13-14-7(4)6(2-5)8(10,11)12;1-4-2-5(9)3-6(7(4)13)8(10,11)12;1-5-3-2-4-6(7(5)12)8(9,10)11/h6-8H,1-5H3;2-4H,1H3;1-3H,(H,13,14);2-3H,13H2,1H3;2-4H,12H2,1H3
• InChIKey: ZXZCYWHNHWREPJ-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 134.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1299.42
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline?

The IUPAC name of 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline (CID 162250939) is 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline.

What is the SMILES notation for 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline?

The canonical SMILES for 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline is Cc1cc(Br)cc(C(F)(F)F)c1N.Cc1cccc(C(F)(F)F)c1N.Cn1ncc2cc(B3OC(C)(C)C(C)(C)O3)cc(C(F)(F)F)c21.Cn1ncc2cc(Br)cc(C(F)(F)F)c21.FC(F)(F)c1cc(Br)cc2cn[nH]c12.

What is the InChIKey of 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline?

The InChIKey is ZXZCYWHNHWREPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BF3N2O2.C9H6BrF3N2.C8H4BrF3N2.C8H7BrF3N.C8H8F3N/c1-13(2)14(3,4)23-16(22-13)10-6-9-8-20-21(5)12(9)11(7-10)15(17,18)19;1-15-8-5(4-14-15)2-6(10)3-7(8)9(11,12)13;9-5-1-4-3-13-14-7(4)6(2-5)8(10,11)12;1-4-2-5(9)3-6(7(4)13)8(10,11)12;1-5-3-2-4-6(7(5)12)8(9,10)11/h6-8H,1-5H3;2-4H,1H3;1-3H,(H,13,14);2-3H,13H2,1H3;2-4H,12H2,1H3.

What are the key properties of 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline?

4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline has a molecular weight of 1299.42 g/mol, XLogP of 15.54, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline is sourced from PubChem (CID 162250939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).