3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane

C143H118BBrF17IN26O14 — CID 167636867

About 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane

3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane (PubChem CID 167636867) has the molecular formula C143H118BBrF17IN26O14 and a molecular weight of 2965.27 g/mol. Its IUPAC name is 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane.

Molecular Properties

• Compound Name: 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane
• PubChem CID: 167636867
• Molecular Formula: C143H118BBrF17IN26O14
• Molecular Weight: 2965.27 g/mol
• Exact Mass: 2962.74
• IUPAC Name: 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane
• SMILES: CI.Cc1cc(F)c(-c2ccc(F)nc2)c(F)c1.Cn1c2ccncc2c2cc(F)c(-c3ccc(F)nc3)c(F)c21.Cn1c2ccncc2c2cc(F)c(-c3ccc(N4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)c(F)c21.Fc1ccc(-c2c(F)cc3c([nH]c4ccncc43)c2F)cn1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCNCC5)CC4)cc3C2=O)C(=O)N1.O=[N+]([O-])c1ccncc1-c1cc(F)c(-c2ccc(F)nc2)c(F)c1.O=[N+]([O-])c1ccncc1Br.OB(O)c1cc(F)c(-c2ccc(F)nc2)c(F)c1
• InChI: InChI=1S/C41H40F2N8O4.C24H31N5O4.C17H10F3N3.C16H8F3N3O2.C16H8F3N3.C12H8F3N.C11H7BF3NO2.C5H3BrN2O2.CH3I/c1-47-32-8-12-44-23-30(32)28-21-31(42)36(37(43)38(28)47)25-2-6-34(45-22-25)50-14-10-24(11-15-50)9-13-48-16-18-49(19-17-48)26-3-4-27-29(20-26)41(55)51(40(27)54)33-5-7-35(52)46-39(33)53;30-21-4-3-20(22(31)26-21)29-23(32)18-2-1-17(15-19(18)24(29)33)28-13-11-27(12-14-28)10-7-16-5-8-25-9-6-16;1-23-13-4-5-21-8-11(13)10-6-12(18)15(16(20)17(10)23)9-2-3-14(19)22-7-9;17-12-5-10(11-8-20-4-3-14(11)22(23)24)6-13(18)16(12)9-1-2-15(19)21-7-9;17-11-5-9-10-7-20-4-3-12(10)22-16(9)15(19)14(11)8-1-2-13(18)21-6-8;1-7-4-9(13)12(10(14)5-7)8-2-3-11(15)16-6-8;13-8-3-7(12(17)18)4-9(14)11(8)6-1-2-10(15)16-5-6;6-4-3-7-2-1-5(4)8(9)10;1-2/h2-4,6,8,12,20-24,33H,5,7,9-11,13-19H2,1H3,(H,46,52,53);1-2,15-16,20,25H,3-14H2,(H,26,30,31);2-8H,1H3;1-8H;1-7,22H;2-6H,1H3;1-5,17-18H;1-3H;1H3
• InChIKey: OPHQYFWYGSVYKL-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 489.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2965.27
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane?

The IUPAC name of 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane (CID 167636867) is 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane.

What is the SMILES notation for 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane?

The canonical SMILES for 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane is CI.Cc1cc(F)c(-c2ccc(F)nc2)c(F)c1.Cn1c2ccncc2c2cc(F)c(-c3ccc(F)nc3)c(F)c21.Cn1c2ccncc2c2cc(F)c(-c3ccc(N4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)c(F)c21.Fc1ccc(-c2c(F)cc3c([nH]c4ccncc43)c2F)cn1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCNCC5)CC4)cc3C2=O)C(=O)N1.O=[N+]([O-])c1ccncc1-c1cc(F)c(-c2ccc(F)nc2)c(F)c1.O=[N+]([O-])c1ccncc1Br.OB(O)c1cc(F)c(-c2ccc(F)nc2)c(F)c1.

What is the InChIKey of 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane?

The InChIKey is OPHQYFWYGSVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40F2N8O4.C24H31N5O4.C17H10F3N3.C16H8F3N3O2.C16H8F3N3.C12H8F3N.C11H7BF3NO2.C5H3BrN2O2.CH3I/c1-47-32-8-12-44-23-30(32)28-21-31(42)36(37(43)38(28)47)25-2-6-34(45-22-25)50-14-10-24(11-15-50)9-13-48-16-18-49(19-17-48)26-3-4-27-29(20-26)41(55)51(40(27)54)33-5-7-35(52)46-39(33)53;30-21-4-3-20(22(31)26-21)29-23(32)18-2-1-17(15-19(18)24(29)33)28-13-11-27(12-14-28)10-7-16-5-8-25-9-6-16;1-23-13-4-5-21-8-11(13)10-6-12(18)15(16(20)17(10)23)9-2-3-14(19)22-7-9;17-12-5-10(11-8-20-4-3-14(11)22(23)24)6-13(18)16(12)9-1-2-15(19)21-7-9;17-11-5-9-10-7-20-4-3-12(10)22-16(9)15(19)14(11)8-1-2-13(18)21-6-8;1-7-4-9(13)12(10(14)5-7)8-2-3-11(15)16-6-8;13-8-3-7(12(17)18)4-9(14)11(8)6-1-2-10(15)16-5-6;6-4-3-7-2-1-5(4)8(9)10;1-2/h2-4,6,8,12,20-24,33H,5,7,9-11,13-19H2,1H3,(H,46,52,53);1-2,15-16,20,25H,3-14H2,(H,26,30,31);2-8H,1H3;1-8H;1-7,22H;2-6H,1H3;1-5,17-18H;1-3H;1H3.

What are the key properties of 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane?

3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane has a molecular weight of 2965.27 g/mol, XLogP of 25.16, 21 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane is sourced from PubChem (CID 167636867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).