5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole

C62H62B2Br4N12O4 — CID 161122803

About 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole

5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole (PubChem CID 161122803) has the molecular formula C62H62B2Br4N12O4 and a molecular weight of 1380.50 g/mol. Its IUPAC name is 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole.

Molecular Properties

• Compound Name: 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole
• PubChem CID: 161122803
• Molecular Formula: C62H62B2Br4N12O4
• Molecular Weight: 1380.50 g/mol
• Exact Mass: 1376.19
• IUPAC Name: 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole
• SMILES: Cc1ncc(-c2ccc3c(cnn3C)c2)cc1Br.Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1ccc2c(cnn2C)c1.Cc1ncc(Br)cc1-c1ccc2c(cnn2C)c1.Cc1ncc(Br)cc1Br.Cn1ncc2cc(B(O)O)ccc21
• InChI: InChI=1S/C20H24BN3O2.2C14H12BrN3.C8H9BN2O2.C6H5Br2N/c1-13-17(14-7-8-18-15(9-14)11-23-24(18)6)10-16(12-22-13)21-25-19(2,3)20(4,5)26-21;1-9-13(15)6-11(7-16-9)10-3-4-14-12(5-10)8-17-18(14)2;1-9-13(6-12(15)8-16-9)10-3-4-14-11(5-10)7-17-18(14)2;1-11-8-3-2-7(9(12)13)4-6(8)5-10-11;1-4-6(8)2-5(7)3-9-4/h7-12H,1-6H3;2*3-8H,1-2H3;2-5,12-13H,1H3;2-3H,1H3
• InChIKey: ULECXXNYONNSGY-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 181.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.50
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole?

The IUPAC name of 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole (CID 161122803) is 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole.

What is the SMILES notation for 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole?

The canonical SMILES for 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole is Cc1ncc(-c2ccc3c(cnn3C)c2)cc1Br.Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1ccc2c(cnn2C)c1.Cc1ncc(Br)cc1-c1ccc2c(cnn2C)c1.Cc1ncc(Br)cc1Br.Cn1ncc2cc(B(O)O)ccc21.

What is the InChIKey of 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole?

The InChIKey is ULECXXNYONNSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BN3O2.2C14H12BrN3.C8H9BN2O2.C6H5Br2N/c1-13-17(14-7-8-18-15(9-14)11-23-24(18)6)10-16(12-22-13)21-25-19(2,3)20(4,5)26-21;1-9-13(15)6-11(7-16-9)10-3-4-14-12(5-10)8-17-18(14)2;1-9-13(6-12(15)8-16-9)10-3-4-14-11(5-10)7-17-18(14)2;1-11-8-3-2-7(9(12)13)4-6(8)5-10-11;1-4-6(8)2-5(7)3-9-4/h7-12H,1-6H3;2*3-8H,1-2H3;2-5,12-13H,1H3;2-3H,1H3.

What are the key properties of 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole?

5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole has a molecular weight of 1380.50 g/mol, XLogP of 12.82, 5 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-bromo-2-methyl-3-pyridinyl)-1-methylindazole;5-(5-bromo-6-methyl-3-pyridinyl)-1-methylindazole;3,5-dibromo-2-methylpyridine;(1-methylindazol-5-yl)boronic acid;1-methyl-5-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indazole is sourced from PubChem (CID 161122803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).