sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite

C119H103BBr4ClN18NaO9Zn — CID 158402558

About sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite

sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite (PubChem CID 158402558) has the molecular formula C119H103BBr4ClN18NaO9Zn and a molecular weight of 2383.51 g/mol. Its IUPAC name is sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite.

Molecular Properties

• Compound Name: sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite
• PubChem CID: 158402558
• Molecular Formula: C119H103BBr4ClN18NaO9Zn
• Molecular Weight: 2383.51 g/mol
• Exact Mass: 2376.39
• IUPAC Name: sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite
• SMILES: Brc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc2c(c1)c(-c1ccccc1)nc1c2nc2ccccn21.C.C.C.C.CC(=O)O.CC1(C)OB(c2ccc3c(c2)c(-c2ccccc2)nc2c3nc3ccccn32)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.Nc1c(-c2ccc(Br)cc2)nc2ccccn12.O=Cc1ccccc1.O=N[O-].O=[N+]([O-])c1c(-c2ccc(Br)cc2)nc2ccccn12.[Na+].[Zn]
• InChI: InChI=1S/C26H24BN3O2.C21H14ClN3.C20H12BrN3.C13H8BrN3O2.C13H10BrN3.C13H9BrN2.C7H6O.C2H4O2.4CH4.HNO2.Na.Zn/c1-25(2)26(3,4)32-27(31-25)18-13-14-19-20(16-18)22(17-10-6-5-7-11-17)29-24-23(19)28-21-12-8-9-15-30(21)24;22-21-24-19(17-9-5-2-6-10-17)23-20(25-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15;21-14-9-10-15-16(12-14)18(13-6-2-1-3-7-13)23-20-19(15)22-17-8-4-5-11-24(17)20;14-10-6-4-9(5-7-10)12-13(17(18)19)16-8-2-1-3-11(16)15-12;14-10-6-4-9(5-7-10)12-13(15)17-8-2-1-3-11(17)16-12;14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12;8-6-7-4-2-1-3-5-7;1-2(3)4;;;;;2-1-3;;/h5-16H,1-4H3;1-14H;1-12H;1-8H;1-8H,15H2;1-9H;1-6H;1H3,(H,3,4);4*1H4;(H,2,3);;/q;;;;;;;;;;;;;+1;/p-1
• InChIKey: CYLINGFXAXWNRD-UHFFFAOYSA-M
• XLogP: 28.16
• TPSA: 345.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2383.51
LogP ≤ 5	28.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite?

The IUPAC name of sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite (CID 158402558) is sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite.

What is the SMILES notation for sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite?

The canonical SMILES for sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite is Brc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc2c(c1)c(-c1ccccc1)nc1c2nc2ccccn21.C.C.C.C.CC(=O)O.CC1(C)OB(c2ccc3c(c2)c(-c2ccccc2)nc2c3nc3ccccn32)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.Nc1c(-c2ccc(Br)cc2)nc2ccccn12.O=Cc1ccccc1.O=N[O-].O=[N+]([O-])c1c(-c2ccc(Br)cc2)nc2ccccn12.[Na+].[Zn].

What is the InChIKey of sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite?

The InChIKey is CYLINGFXAXWNRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24BN3O2.C21H14ClN3.C20H12BrN3.C13H8BrN3O2.C13H10BrN3.C13H9BrN2.C7H6O.C2H4O2.4CH4.HNO2.Na.Zn/c1-25(2)26(3,4)32-27(31-25)18-13-14-19-20(16-18)22(17-10-6-5-7-11-17)29-24-23(19)28-21-12-8-9-15-30(21)24;22-21-24-19(17-9-5-2-6-10-17)23-20(25-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15;21-14-9-10-15-16(12-14)18(13-6-2-1-3-7-13)23-20-19(15)22-17-8-4-5-11-24(17)20;14-10-6-4-9(5-7-10)12-13(17(18)19)16-8-2-1-3-11(16)15-12;14-10-6-4-9(5-7-10)12-13(15)17-8-2-1-3-11(17)16-12;14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12;8-6-7-4-2-1-3-5-7;1-2(3)4;;;;;2-1-3;;/h5-16H,1-4H3;1-14H;1-12H;1-8H;1-8H,15H2;1-9H;1-6H;1H3,(H,3,4);4*1H4;(H,2,3);;/q;;;;;;;;;;;;;+1;/p-1.

What are the key properties of sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite?

sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite has a molecular weight of 2383.51 g/mol, XLogP of 28.16, 11 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;acetic acid;benzaldehyde;2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-nitroimidazo[1,2-a]pyridine;5-bromo-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;8-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;zinc;nitrite is sourced from PubChem (CID 158402558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).