6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C44H39BCl3F3N8O2 — CID 159172760

About 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 159172760) has the molecular formula C44H39BCl3F3N8O2 and a molecular weight of 886.01 g/mol. Its IUPAC name is 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 159172760
• Molecular Formula: C44H39BCl3F3N8O2
• Molecular Weight: 886.01 g/mol
• Exact Mass: 884.23
• IUPAC Name: 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Cc1cc(Cl)nc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)c1.Cc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1.FC(F)(F)c1cc(Cl)nc(Cl)c1
• InChI: InChI=1S/C19H22BN3O2.C19H15ClN4.C6H2Cl2F3N/c1-13-7-6-8-17(22-13)23-16-11-15(10-9-14(16)12-21-23)20-24-18(2,3)19(4,5)25-20;1-12-8-16(23-18(20)9-12)14-6-7-15-11-21-24(17(15)10-14)19-5-3-4-13(2)22-19;7-4-1-3(6(9,10)11)2-5(8)12-4/h6-12H,1-5H3;3-11H,1-2H3;1-2H
• InChIKey: KLWYTEGQXJTOFC-UHFFFAOYSA-N
• XLogP: 11.19
• TPSA: 105.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.01
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 159172760) is 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cc1cc(Cl)nc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)c1.Cc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1.FC(F)(F)c1cc(Cl)nc(Cl)c1.

What is the InChIKey of 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is KLWYTEGQXJTOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BN3O2.C19H15ClN4.C6H2Cl2F3N/c1-13-7-6-8-17(22-13)23-16-11-15(10-9-14(16)12-21-23)20-24-18(2,3)19(4,5)25-20;1-12-8-16(23-18(20)9-12)14-6-7-15-11-21-24(17(15)10-14)19-5-3-4-13(2)22-19;7-4-1-3(6(9,10)11)2-5(8)12-4/h6-12H,1-5H3;3-11H,1-2H3;1-2H.

What are the key properties of 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 886.01 g/mol, XLogP of 11.19, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 159172760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).