2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C105H120B5F5I5N11O14S — CID 157454858

About 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157454858) has the molecular formula C105H120B5F5I5N11O14S and a molecular weight of 2575.81 g/mol. Its IUPAC name is 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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: 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157454858
• Molecular Formula: C105H120B5F5I5N11O14S
• Molecular Weight: 2575.81 g/mol
• Exact Mass: 2575.43
• IUPAC Name: 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.Cn1cc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)cn1.Cn1cc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)cn1.Cn1cc(-c2cccc(I)c2F)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Fc1c(I)cccc1I.Fc1ccccc1I
• InChI: InChI=1S/C29H24IN3O4S.2C16H20BFN2O2.C12H24B2O4.C10H17BN2O2.C10H8FIN2.C6H3FI2.C6H4FI/c1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;2*1-15(2)16(3,4)22-17(21-15)13-8-6-7-12(14(13)18)11-9-19-20(5)10-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-14-6-7(5-13-14)8-3-2-4-9(12)10(8)11;7-6-4(8)2-1-3-5(6)9;7-5-3-1-2-4-6(5)8/h2-18H,19-20H2,1H3;2*6-10H,1-5H3;1-8H3;6-7H,1-5H3;2-6H,1H3;1-3H;1-4H
• InChIKey: BTFUJERMPPEYJM-UHFFFAOYSA-N
• XLogP: 22.19
• TPSA: 245.08 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2575.81
LogP ≤ 5	22.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', '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 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157454858) is 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.Cn1cc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)cn1.Cn1cc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)cn1.Cn1cc(-c2cccc(I)c2F)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Fc1c(I)cccc1I.Fc1ccccc1I.

What is the InChIKey of 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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 BTFUJERMPPEYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24IN3O4S.2C16H20BFN2O2.C12H24B2O4.C10H17BN2O2.C10H8FIN2.C6H3FI2.C6H4FI/c1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;2*1-15(2)16(3,4)22-17(21-15)13-8-6-7-12(14(13)18)11-9-19-20(5)10-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-14-6-7(5-13-14)8-3-2-4-9(12)10(8)11;7-6-4(8)2-1-3-5(6)9;7-5-3-1-2-4-6(5)8/h2-18H,19-20H2,1H3;2*6-10H,1-5H3;1-8H3;6-7H,1-5H3;2-6H,1H3;1-3H;1-4H.

What are the key properties of 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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 2575.81 g/mol, XLogP of 22.19, 15 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-1,3-diiodobenzene;1-fluoro-2-iodobenzene;4-(2-fluoro-3-iodophenyl)-1-methylpyrazole;bis(4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methylpyrazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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 157454858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).