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

C84H84B4Br2F12N12O16 — CID 157330950

About methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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 157330950) has the molecular formula C84H84B4Br2F12N12O16 and a molecular weight of 1948.70 g/mol. Its IUPAC name is methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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: 157330950
• Molecular Formula: C84H84B4Br2F12N12O16
• Molecular Weight: 1948.70 g/mol
• Exact Mass: 1946.47
• IUPAC Name: methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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(F)(F)F)n1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.COC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C(F)(F)F)n1.COC(=O)c1cc(Br)cc2nn(-c3cccc(C(F)(F)F)n3)cc12
• InChI: InChI=1S/2C21H21BF3N3O4.2C15H9BrF3N3O2.C12H24B2O4/c1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-28(27-15(14)10-12)17-8-6-7-16(26-17)21(23,24)25;1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-26-28(15(14)10-12)17-8-6-7-16(27-17)21(23,24)25;1-24-14(23)9-5-8(16)6-11-10(9)7-22(21-11)13-4-2-3-12(20-13)15(17,18)19;1-24-14(23)9-5-8(16)6-11-10(9)7-20-22(11)13-4-2-3-12(21-13)15(17,18)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*6-11H,1-5H3;2*2-7H,1H3;1-8H3
• InChIKey: BFGYHUREASXSBO-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 301.88 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.70
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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 157330950) is methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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(F)(F)F)n1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.COC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C(F)(F)F)n1.COC(=O)c1cc(Br)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.

What is the InChIKey of methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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 BFGYHUREASXSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21BF3N3O4.2C15H9BrF3N3O2.C12H24B2O4/c1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-28(27-15(14)10-12)17-8-6-7-16(26-17)21(23,24)25;1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-26-28(15(14)10-12)17-8-6-7-16(27-17)21(23,24)25;1-24-14(23)9-5-8(16)6-11-10(9)7-22(21-11)13-4-2-3-12(20-13)15(17,18)19;1-24-14(23)9-5-8(16)6-11-10(9)7-20-22(11)13-4-2-3-12(21-13)15(17,18)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*6-11H,1-5H3;2*2-7H,1H3;1-8H3.

What are the key properties of methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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 1948.70 g/mol, XLogP of 17.28, 11 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]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 157330950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).