5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane

C83H120B3Br3F5I7N8O9 — CID 161222677

About 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane

5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane (PubChem CID 161222677) has the molecular formula C83H120B3Br3F5I7N8O9 and a molecular weight of 2629.39 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane.

Molecular Properties

• Compound Name: 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane
• PubChem CID: 161222677
• Molecular Formula: C83H120B3Br3F5I7N8O9
• Molecular Weight: 2629.39 g/mol
• Exact Mass: 2626.02
• IUPAC Name: 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane
• SMILES: C1=COCCC1.CC(C)I.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(cnn3C3CCCCO3)c2F)OC1(C)C.CCC.CCC(I)(I)I.CCC(I)I.CCCI.Cc1c(N)ccc(Br)c1F.Cc1c(N)cccc1F.Fc1c(Br)ccc2[nH]ncc12.Fc1c(Br)ccc2c1cnn2C1CCCCO1
• InChI: InChI=1S/C18H24BFN2O3.C12H24B2O4.C12H12BrFN2O.C7H4BrFN2.C7H7BrFN.C7H8FN.C5H8O.C3H5I3.C3H6I2.2C3H7I.C3H8/c1-17(2)18(3,4)25-19(24-17)13-8-9-14-12(16(13)20)11-21-22(14)15-7-5-6-10-23-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-9-4-5-10-8(12(9)14)7-15-16(10)11-3-1-2-6-17-11;8-5-1-2-6-4(7(5)9)3-10-11-6;1-4-6(10)3-2-5(8)7(4)9;1-5-6(8)3-2-4-7(5)9;1-2-4-6-5-3-1;1-2-3(4,5)6;1-2-3(4)5;1-3(2)4;1-2-3-4;1-3-2/h8-9,11,15H,5-7,10H2,1-4H3;1-8H3;4-5,7,11H,1-3,6H2;1-3H,(H,10,11);2-3H,10H2,1H3;2-4H,9H2,1H3;2,4H,1,3,5H2;2H2,1H3;3H,2H2,1H3;3H,1-2H3;2-3H2,1H3;3H2,1-2H3
• InChIKey: UXSNJVKTVBJLOF-UHFFFAOYSA-N
• XLogP: 28.06
• TPSA: 199.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2629.39
LogP ≤ 5	28.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane?

The IUPAC name of 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane (CID 161222677) is 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane.

What is the SMILES notation for 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane?

The canonical SMILES for 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane is C1=COCCC1.CC(C)I.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(cnn3C3CCCCO3)c2F)OC1(C)C.CCC.CCC(I)(I)I.CCC(I)I.CCCI.Cc1c(N)ccc(Br)c1F.Cc1c(N)cccc1F.Fc1c(Br)ccc2[nH]ncc12.Fc1c(Br)ccc2c1cnn2C1CCCCO1.

What is the InChIKey of 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane?

The InChIKey is UXSNJVKTVBJLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BFN2O3.C12H24B2O4.C12H12BrFN2O.C7H4BrFN2.C7H7BrFN.C7H8FN.C5H8O.C3H5I3.C3H6I2.2C3H7I.C3H8/c1-17(2)18(3,4)25-19(24-17)13-8-9-14-12(16(13)20)11-21-22(14)15-7-5-6-10-23-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-9-4-5-10-8(12(9)14)7-15-16(10)11-3-1-2-6-17-11;8-5-1-2-6-4(7(5)9)3-10-11-6;1-4-6(10)3-2-5(8)7(4)9;1-5-6(8)3-2-4-7(5)9;1-2-4-6-5-3-1;1-2-3(4,5)6;1-2-3(4)5;1-3(2)4;1-2-3-4;1-3-2/h8-9,11,15H,5-7,10H2,1-4H3;1-8H3;4-5,7,11H,1-3,6H2;1-3H,(H,10,11);2-3H,10H2,1H3;2-4H,9H2,1H3;2,4H,1,3,5H2;2H2,1H3;3H,2H2,1H3;3H,1-2H3;2-3H2,1H3;3H2,1-2H3.

What are the key properties of 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane?

5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane has a molecular weight of 2629.39 g/mol, XLogP of 28.06, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane is sourced from PubChem (CID 161222677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).