7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C58H72B3Br4FN10O6 — CID 160880288

About 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 160880288) has the molecular formula C58H72B3Br4FN10O6 and a molecular weight of 1377.33 g/mol. Its IUPAC name is 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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: 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 160880288
• Molecular Formula: C58H72B3Br4FN10O6
• Molecular Weight: 1377.33 g/mol
• Exact Mass: 1373.27
• IUPAC Name: 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cccc2cn[nH]c12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cn1cc2cccc(Br)c2n1.Cn1ncc2cccc(B3OC(C)(C)C(C)(C)O3)c21.Cn1ncc2cccc(Br)c21.Cn1ncc2cccc(Br)c21.[2H]CF
• InChI: InChI=1S/C14H19BN2O2.C12H24B2O4.3C8H7BrN2.C7H5BrN2.CH3F/c1-13(2)14(3,4)19-15(18-13)11-8-6-7-10-9-16-17(5)12(10)11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11-5-6-3-2-4-7(9)8(6)10-11;2*1-11-8-6(5-10-11)3-2-4-7(8)9;8-6-3-1-2-5-4-9-10-7(5)6;1-2/h6-9H,1-5H3;1-8H3;3*2-5H,1H3;1-4H,(H,9,10);1H3/i;;;;;;1D
• InChIKey: SMYBSROAFNSXDM-YHUGICHZSA-N
• XLogP: 14.04
• TPSA: 155.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 2
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1377.33
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 160880288) is 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cccc2cn[nH]c12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cn1cc2cccc(Br)c2n1.Cn1ncc2cccc(B3OC(C)(C)C(C)(C)O3)c21.Cn1ncc2cccc(Br)c21.Cn1ncc2cccc(Br)c21.[2H]CF.

What is the InChIKey of 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is SMYBSROAFNSXDM-YHUGICHZSA-N. The full InChI is InChI=1S/C14H19BN2O2.C12H24B2O4.3C8H7BrN2.C7H5BrN2.CH3F/c1-13(2)14(3,4)19-15(18-13)11-8-6-7-10-9-16-17(5)12(10)11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11-5-6-3-2-4-7(9)8(6)10-11;2*1-11-8-6(5-10-11)3-2-4-7(8)9;8-6-3-1-2-5-4-9-10-7(5)6;1-2/h6-9H,1-5H3;1-8H3;3*2-5H,1H3;1-4H,(H,9,10);1H3/i;;;;;;1D.

What are the key properties of 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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 1377.33 g/mol, XLogP of 14.04, 2 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-1H-indazole;bis(7-bromo-1-methylindazole);7-bromo-2-methylindazole;deuterio(fluoro)methane;1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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 160880288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).