1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane

C130H127BBr3F5IN19O8Sn — CID 159185518

About 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane

1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane (PubChem CID 159185518) has the molecular formula C130H127BBr3F5IN19O8Sn and a molecular weight of 2674.70 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane.

Molecular Properties

• Compound Name: 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane
• PubChem CID: 159185518
• Molecular Formula: C130H127BBr3F5IN19O8Sn
• Molecular Weight: 2674.70 g/mol
• Exact Mass: 2671.57
• IUPAC Name: 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1nccn1C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nccn4C)cc3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Cn1ccnc1-c1ccc(-c2cc3c(C(=O)O)cnc(N(Cc4ccccc4)Cc4ccccc4)c3[nH]2)c(F)c1.Cn1ccnc1-c1ccc(Br)c(F)c1.Cn1ccnc1-c1ccc(Br)c(F)c1.Fc1cc(I)ccc1Br
• InChI: InChI=1S/C33H28FN5O2.C32H26FN5O2.C23H22BN3O4.2C10H8BrFN2.C6H3BrFI.C4H5N2.3C4H9.Sn/c1-38-16-15-35-31(38)24-13-14-25(28(34)17-24)29-18-26-27(33(40)41-2)19-36-32(30(26)37-29)39(20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23;1-37-15-14-34-30(37)23-12-13-24(27(33)16-23)28-17-25-26(32(39)40)18-35-31(29(25)36-28)38(19-21-8-4-2-5-9-21)20-22-10-6-3-7-11-22;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;2*1-14-5-4-13-10(14)7-2-3-8(11)9(12)6-7;7-5-2-1-4(9)3-6(5)8;1-6-3-2-5-4-6;3*1-3-4-2;/h3-19,37H,20-21H2,1-2H3;2-18,36H,19-20H2,1H3,(H,39,40);2-13,26,29-30H,14-15H2,1H3;2*2-6H,1H3;1-3H;2-3H,1H3;3*1,3-4H2,2H3
• InChIKey: KNLAIPSCYHKKJE-UHFFFAOYSA-N
• XLogP: 29.32
• TPSA: 315.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2674.70
LogP ≤ 5	29.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', '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 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane?

The IUPAC name of 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane (CID 159185518) is 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane.

What is the SMILES notation for 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane?

The canonical SMILES for 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nccn1C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nccn4C)cc3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Cn1ccnc1-c1ccc(-c2cc3c(C(=O)O)cnc(N(Cc4ccccc4)Cc4ccccc4)c3[nH]2)c(F)c1.Cn1ccnc1-c1ccc(Br)c(F)c1.Cn1ccnc1-c1ccc(Br)c(F)c1.Fc1cc(I)ccc1Br.

What is the InChIKey of 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane?

The InChIKey is KNLAIPSCYHKKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN5O2.C32H26FN5O2.C23H22BN3O4.2C10H8BrFN2.C6H3BrFI.C4H5N2.3C4H9.Sn/c1-38-16-15-35-31(38)24-13-14-25(28(34)17-24)29-18-26-27(33(40)41-2)19-36-32(30(26)37-29)39(20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23;1-37-15-14-34-30(37)23-12-13-24(27(33)16-23)28-17-25-26(32(39)40)18-35-31(29(25)36-28)38(19-21-8-4-2-5-9-21)20-22-10-6-3-7-11-22;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;2*1-14-5-4-13-10(14)7-2-3-8(11)9(12)6-7;7-5-2-1-4(9)3-6(5)8;1-6-3-2-5-4-6;3*1-3-4-2;/h3-19,37H,20-21H2,1-2H3;2-18,36H,19-20H2,1H3,(H,39,40);2-13,26,29-30H,14-15H2,1H3;2*2-6H,1H3;1-3H;2-3H,1H3;3*1,3-4H2,2H3;.

What are the key properties of 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane?

1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane has a molecular weight of 2674.70 g/mol, XLogP of 29.32, 35 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-fluoro-4-iodobenzene;bis(2-(4-bromo-3-fluorophenyl)-1-methylimidazole);7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-(1-methylimidazol-2-yl)stannane is sourced from PubChem (CID 159185518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).