5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C79H79B3Br2F2N8O8 — CID 161068118

About 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161068118) has the molecular formula C79H79B3Br2F2N8O8 and a molecular weight of 1498.79 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;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: 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161068118
• Molecular Formula: C79H79B3Br2F2N8O8
• Molecular Weight: 1498.79 g/mol
• Exact Mass: 1496.46
• IUPAC Name: 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2ccc(-n3cccn3)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-n4cccn4)cc3)cc2)OC1(C)C.O=C1Cc2cc(-c3ccc(-c4ccc(-n5cccn5)cc4)cc3)c(F)cc2N1.O=C1Cc2cc(Br)c(F)cc2N1
• InChI: InChI=1S/C23H16FN3O.C21H23BN2O2.C15H11BrN2.C12H24B2O4.C8H5BrFNO/c24-21-14-22-18(13-23(28)26-22)12-20(21)17-4-2-15(3-5-17)16-6-8-19(9-7-16)27-11-1-10-25-27;1-20(2)21(3,4)26-22(25-20)18-10-6-16(7-11-18)17-8-12-19(13-9-17)24-15-5-14-23-24;16-14-6-2-12(3-7-14)13-4-8-15(9-5-13)18-11-1-10-17-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1-12,14H,13H2,(H,26,28);5-15H,1-4H3;1-11H;1-8H3;1,3H,2H2,(H,11,12)
• InChIKey: UEHNIHGFTPQFEY-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 167.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.79
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;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 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161068118) is 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;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 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;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 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2ccc(-n3cccn3)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-n4cccn4)cc3)cc2)OC1(C)C.O=C1Cc2cc(-c3ccc(-c4ccc(-n5cccn5)cc4)cc3)c(F)cc2N1.O=C1Cc2cc(Br)c(F)cc2N1.

What is the InChIKey of 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is UEHNIHGFTPQFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O.C21H23BN2O2.C15H11BrN2.C12H24B2O4.C8H5BrFNO/c24-21-14-22-18(13-23(28)26-22)12-20(21)17-4-2-15(3-5-17)16-6-8-19(9-7-16)27-11-1-10-25-27;1-20(2)21(3,4)26-22(25-20)18-10-6-16(7-11-18)17-8-12-19(13-9-17)24-15-5-14-23-24;16-14-6-2-12(3-7-14)13-4-8-15(9-5-13)18-11-1-10-17-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1-12,14H,13H2,(H,26,28);5-15H,1-4H3;1-11H;1-8H3;1,3H,2H2,(H,11,12).

What are the key properties of 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;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 1498.79 g/mol, XLogP of 17.31, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;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 161068118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).