2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine

C139H109B2Br2Cl5N16O6 — CID 159583132

About 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine

2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine (PubChem CID 159583132) has the molecular formula C139H109B2Br2Cl5N16O6 and a molecular weight of 2458.20 g/mol. Its IUPAC name is 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine.

Molecular Properties

• Compound Name: 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine
• PubChem CID: 159583132
• Molecular Formula: C139H109B2Br2Cl5N16O6
• Molecular Weight: 2458.20 g/mol
• Exact Mass: 2452.57
• IUPAC Name: 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine
• SMILES: Brc1c(-c2ccccc2)nc2ccccn12.CC(=O)c1ccccc1.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.Clc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc1-c1c(-c2ccccc2)nc2ccccn12.Clc1ccc(-c2c(-c3ccccc3)nc3ccccn23)c(Cl)c1.Nc1ccccn1.O=C(CBr)c1ccccc1.OB(O)c1ccc(Cl)cc1Cl.c1ccc(-c2cn3ccccc3n2)cc1
• InChI: InChI=1S/C40H26ClN5.C27H26BN3O2.C19H12Cl2N2.C13H9BrN2.C13H10N2.C8H7BrO.C8H8O.C6H5BCl2O2.C5H6N2/c41-34-26-31(22-23-33(34)37-36(27-13-4-1-5-14-27)42-35-21-10-11-24-46(35)37)30-19-12-20-32(25-30)40-44-38(28-15-6-2-7-16-28)43-39(45-40)29-17-8-3-9-18-29;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;20-14-9-10-15(16(21)12-14)19-18(13-6-2-1-3-7-13)22-17-8-4-5-11-23(17)19;14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12;9-6-8(10)7-4-2-1-3-5-7;1-7(9)8-5-3-2-4-6-8;8-4-1-2-5(7(10)11)6(9)3-4;6-5-3-1-2-4-7-5/h1-26H;5-18H,1-4H3;1-12H;1-9H;1-10H;1-5H,6H2;2-6H,1H3;1-3,10-11H;1-4H,(H2,6,7)
• InChIKey: MJGRTOVDVFHKFB-UHFFFAOYSA-N
• XLogP: 33.58
• TPSA: 278.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2458.20
LogP ≤ 5	33.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine?

The IUPAC name of 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine (CID 159583132) is 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine.

What is the SMILES notation for 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine?

The canonical SMILES for 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine is Brc1c(-c2ccccc2)nc2ccccn12.CC(=O)c1ccccc1.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.Clc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc1-c1c(-c2ccccc2)nc2ccccn12.Clc1ccc(-c2c(-c3ccccc3)nc3ccccn23)c(Cl)c1.Nc1ccccn1.O=C(CBr)c1ccccc1.OB(O)c1ccc(Cl)cc1Cl.c1ccc(-c2cn3ccccc3n2)cc1.

What is the InChIKey of 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine?

The InChIKey is MJGRTOVDVFHKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26ClN5.C27H26BN3O2.C19H12Cl2N2.C13H9BrN2.C13H10N2.C8H7BrO.C8H8O.C6H5BCl2O2.C5H6N2/c41-34-26-31(22-23-33(34)37-36(27-13-4-1-5-14-27)42-35-21-10-11-24-46(35)37)30-19-12-20-32(25-30)40-44-38(28-15-6-2-7-16-28)43-39(45-40)29-17-8-3-9-18-29;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;20-14-9-10-15(16(21)12-14)19-18(13-6-2-1-3-7-13)22-17-8-4-5-11-23(17)19;14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12;9-6-8(10)7-4-2-1-3-5-7;1-7(9)8-5-3-2-4-6-8;8-4-1-2-5(7(10)11)6(9)3-4;6-5-3-1-2-4-7-5/h1-26H;5-18H,1-4H3;1-12H;1-9H;1-10H;1-5H,6H2;2-6H,1H3;1-3,10-11H;1-4H,(H2,6,7).

What are the key properties of 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine?

2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine has a molecular weight of 2458.20 g/mol, XLogP of 33.58, 18 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine is sourced from PubChem (CID 159583132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).