4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C64H57BBr3F3N10O5 — CID 157466778

About 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 157466778) has the molecular formula C64H57BBr3F3N10O5 and a molecular weight of 1353.74 g/mol. Its IUPAC name is 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 157466778
• Molecular Formula: C64H57BBr3F3N10O5
• Molecular Weight: 1353.74 g/mol
• Exact Mass: 1350.21
• IUPAC Name: 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1.Fc1cc(Br)ccc1CBr.O=C1NCc2ncccc21.O=C1c2cccnc2CN1Cc1ccc(Br)cc1F
• InChI: InChI=1S/C22H17FN4O.C14H19BN2O2.C14H10BrFN2O.C7H5Br2F.C7H6N2O/c1-26-11-17-9-14(6-7-20(17)25-26)15-4-5-16(19(23)10-15)12-27-13-21-18(22(27)28)3-2-8-24-21;1-13(2)14(3,4)19-15(18-13)11-6-7-12-10(8-11)9-17(5)16-12;15-10-4-3-9(12(16)6-10)7-18-8-13-11(14(18)19)2-1-5-17-13;8-4-5-1-2-6(9)3-7(5)10;10-7-5-2-1-3-8-6(5)4-9-7/h2-11H,12-13H2,1H3;6-9H,1-5H3;1-6H,7-8H2;1-3H,4H2;1-3H,4H2,(H,9,10)
• InChIKey: BUONJELLVKGKDJ-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 162.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1353.74
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 157466778) is 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1.Fc1cc(Br)ccc1CBr.O=C1NCc2ncccc21.O=C1c2cccnc2CN1Cc1ccc(Br)cc1F.

What is the InChIKey of 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is BUONJELLVKGKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O.C14H19BN2O2.C14H10BrFN2O.C7H5Br2F.C7H6N2O/c1-26-11-17-9-14(6-7-20(17)25-26)15-4-5-16(19(23)10-15)12-27-13-21-18(22(27)28)3-2-8-24-21;1-13(2)14(3,4)19-15(18-13)11-6-7-12-10(8-11)9-17(5)16-12;15-10-4-3-9(12(16)6-10)7-18-8-13-11(14(18)19)2-1-5-17-13;8-4-5-1-2-6(9)3-7(5)10;10-7-5-2-1-3-8-6(5)4-9-7/h2-11H,12-13H2,1H3;6-9H,1-5H3;1-6H,7-8H2;1-3H,4H2;1-3H,4H2,(H,9,10).

What are the key properties of 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1353.74 g/mol, XLogP of 12.75, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 157466778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).