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;1-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;bis(vanadium)

C83H118B3Br3F5I7N8O9V2-2 — CID 157309604

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;1-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;bis(vanadium)

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;1-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;bis(vanadium) (PubChem CID 157309604) has the molecular formula C83H118B3Br3F5I7N8O9V2-2 and a molecular weight of 2729.26 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;1-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;bis(vanadium).

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;1-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;bis(vanadium)
• PubChem CID: 157309604
• Molecular Formula: C83H118B3Br3F5I7N8O9V2-2
• Molecular Weight: 2729.26 g/mol
• Exact Mass: 2725.90
• 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;1-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;bis(vanadium)
• SMILES: C1=COCCC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(cnn3C3CCCCO3)c2F)OC1(C)C.CCC(I)(I)I.CCC(I)I.CCCI.CC[CH-]I.Cc1c(N)ccc(Br)c1F.Cc1c(N)cccc1F.Fc1c(Br)ccc2[nH]ncc12.Fc1c(Br)ccc2c1cnn2C1CCCCO1.[CH2-]CC.[V].[V]
• InChI: InChI=1S/C18H24BFN2O3.C12H24B2O4.C12H12BrFN2O.C7H4BrFN2.C7H7BrFN.C7H8FN.C5H8O.C3H5I3.C3H6I2.C3H7I.C3H6I.C3H7.2V/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;2*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;2-3H2,1H3;3H,2H2,1H3;1,3H2,2H3;;/q;;;;;;;;;;2*-1
• InChIKey: UFVJFJJOLFPGDG-UHFFFAOYSA-N
• XLogP: 28.03
• TPSA: 199.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2729.26
LogP ≤ 5	28.03
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': 'Carbo_cation/anion', '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;1-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;bis(vanadium)?

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;1-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;bis(vanadium) (CID 157309604) 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;1-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;bis(vanadium).

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;1-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;bis(vanadium)?

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;1-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;bis(vanadium) is C1=COCCC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(cnn3C3CCCCO3)c2F)OC1(C)C.CCC(I)(I)I.CCC(I)I.CCCI.CC[CH-]I.Cc1c(N)ccc(Br)c1F.Cc1c(N)cccc1F.Fc1c(Br)ccc2[nH]ncc12.Fc1c(Br)ccc2c1cnn2C1CCCCO1.[CH2-]CC.[V].[V].

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;1-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;bis(vanadium)?

The InChIKey is UFVJFJJOLFPGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BFN2O3.C12H24B2O4.C12H12BrFN2O.C7H4BrFN2.C7H7BrFN.C7H8FN.C5H8O.C3H5I3.C3H6I2.C3H7I.C3H6I.C3H7.2V/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;2*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;2-3H2,1H3;3H,2H2,1H3;1,3H2,2H3;;/q;;;;;;;;;;2*-1;;.

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;1-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;bis(vanadium)?

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;1-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;bis(vanadium) has a molecular weight of 2729.26 g/mol, XLogP of 28.03, 8 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;1-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;bis(vanadium) is sourced from PubChem (CID 157309604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).