3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole

C40H24Br2Cl3F3N6 — CID 161006926

About 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole

3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole (PubChem CID 161006926) has the molecular formula C40H24Br2Cl3F3N6 and a molecular weight of 911.83 g/mol. Its IUPAC name is 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole.

Molecular Properties

• Compound Name: 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole
• PubChem CID: 161006926
• Molecular Formula: C40H24Br2Cl3F3N6
• Molecular Weight: 911.83 g/mol
• Exact Mass: 907.94
• IUPAC Name: 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole
• SMILES: Clc1ccc2[nH]nc(-c3cccc(Br)c3)c2c1.Clc1ccc2n[nH]c(Br)c2c1.FC(F)(F)c1cccc(-c2cccc(-c3n[nH]c4ccc(Cl)cc34)c2)c1
• InChI: InChI=1S/C20H12ClF3N2.C13H8BrClN2.C7H4BrClN2/c21-16-7-8-18-17(11-16)19(26-25-18)14-5-1-3-12(9-14)13-4-2-6-15(10-13)20(22,23)24;14-9-3-1-2-8(6-9)13-11-7-10(15)4-5-12(11)16-17-13;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-11H,(H,25,26);1-7H,(H,16,17);1-3H,(H,10,11)
• InChIKey: TWPVSZDAVZNXHB-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 86.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.83
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole?

The IUPAC name of 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole (CID 161006926) is 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole.

What is the SMILES notation for 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole?

The canonical SMILES for 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole is Clc1ccc2[nH]nc(-c3cccc(Br)c3)c2c1.Clc1ccc2n[nH]c(Br)c2c1.FC(F)(F)c1cccc(-c2cccc(-c3n[nH]c4ccc(Cl)cc34)c2)c1.

What is the InChIKey of 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole?

The InChIKey is TWPVSZDAVZNXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N2.C13H8BrClN2.C7H4BrClN2/c21-16-7-8-18-17(11-16)19(26-25-18)14-5-1-3-12(9-14)13-4-2-6-15(10-13)20(22,23)24;14-9-3-1-2-8(6-9)13-11-7-10(15)4-5-12(11)16-17-13;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-11H,(H,25,26);1-7H,(H,16,17);1-3H,(H,10,11).

What are the key properties of 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole?

3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole has a molecular weight of 911.83 g/mol, XLogP of 14.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole is sourced from PubChem (CID 161006926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).