methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C84H84B4Br2N16O16 — CID 158965323

About methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158965323) has the molecular formula C84H84B4Br2N16O16 and a molecular weight of 1776.75 g/mol. Its IUPAC name is methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;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: methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158965323
• Molecular Formula: C84H84B4Br2N16O16
• Molecular Weight: 1776.75 g/mol
• Exact Mass: 1774.50
• IUPAC Name: methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;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.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2c1cnn2-c1cccc(C#N)n1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2nn(-c3cccc(C#N)n3)cc12.COC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C#N)n1.COC(=O)c1cc(Br)cc2nn(-c3cccc(C#N)n3)cc12
• InChI: InChI=1S/2C21H21BN4O4.2C15H9BrN4O2.C12H24B2O4/c1-20(2)21(3,4)30-22(29-20)13-9-15(19(27)28-5)16-12-26(25-17(16)10-13)18-8-6-7-14(11-23)24-18;1-20(2)21(3,4)30-22(29-20)13-9-15(19(27)28-5)16-12-24-26(17(16)10-13)18-8-6-7-14(11-23)25-18;1-22-15(21)11-5-9(16)6-13-12(11)8-20(19-13)14-4-2-3-10(7-17)18-14;1-22-15(21)11-5-9(16)6-13-12(11)8-18-20(13)14-4-2-3-10(7-17)19-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*6-10,12H,1-5H3;2*2-6,8H,1H3;1-8H3
• InChIKey: JNCYOGJZECZTSV-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 397.04 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1776.75
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;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 methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158965323) is methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;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 methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;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 methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;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.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2c1cnn2-c1cccc(C#N)n1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2nn(-c3cccc(C#N)n3)cc12.COC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C#N)n1.COC(=O)c1cc(Br)cc2nn(-c3cccc(C#N)n3)cc12.

What is the InChIKey of methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is JNCYOGJZECZTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21BN4O4.2C15H9BrN4O2.C12H24B2O4/c1-20(2)21(3,4)30-22(29-20)13-9-15(19(27)28-5)16-12-26(25-17(16)10-13)18-8-6-7-14(11-23)24-18;1-20(2)21(3,4)30-22(29-20)13-9-15(19(27)28-5)16-12-24-26(17(16)10-13)18-8-6-7-14(11-23)25-18;1-22-15(21)11-5-9(16)6-13-12(11)8-20(19-13)14-4-2-3-10(7-17)18-14;1-22-15(21)11-5-9(16)6-13-12(11)8-18-20(13)14-4-2-3-10(7-17)19-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*6-10,12H,1-5H3;2*2-6,8H,1H3;1-8H3.

What are the key properties of methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;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 1776.75 g/mol, XLogP of 12.69, 11 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;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 158965323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).