bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine

C99H126Br2Cl3N11O23Re3-9 — CID 157287483

About bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine

bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine (PubChem CID 157287483) has the molecular formula C99H126Br2Cl3N11O23Re3-9 and a molecular weight of 2662.94 g/mol. Its IUPAC name is bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine.

Molecular Properties

• Compound Name: bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine
• PubChem CID: 157287483
• Molecular Formula: C99H126Br2Cl3N11O23Re3-9
• Molecular Weight: 2662.94 g/mol
• Exact Mass: 2660.52
• IUPAC Name: bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine
• SMILES: Br[Re].Br[Re].C.CCCOCCOCC/N=C/c1ccccn1.CCCOCCOCCN.COc1ccccn1.Cc1ccc2c(c1)c(CC(=O)CCCOCCOCC/N=C/c1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1.Cl[Re].NCCOCCOCC/N=C/c1ccccn1.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O
• InChI: InChI=1S/C32H34ClN3O4.C19H16ClNO3.C13H20N2O2.C12H19N3O2.C7H17NO2.C6H7NO.9CHO.CH4.2BrH.ClH.3Re/c1-23-8-13-31-30(20-23)29(24(2)36(31)32(38)25-9-11-26(33)12-10-25)21-28(37)7-5-16-39-18-19-40-17-15-34-22-27-6-3-4-14-35-27;1-11-3-8-17-16(9-11)15(10-18(22)23)12(2)21(17)19(24)13-4-6-14(20)7-5-13;1-2-8-16-10-11-17-9-7-14-12-13-5-3-4-6-15-13;13-4-7-16-9-10-17-8-6-14-11-12-3-1-2-5-15-12;1-2-4-9-6-7-10-5-3-8;1-8-6-4-2-3-5-7-6;9*1-2;;;;;;;/h3-4,6,8-14,20,22H,5,7,15-19,21H2,1-2H3;3-9H,10H2,1-2H3,(H,22,23);3-6,12H,2,7-11H2,1H3;1-3,5,11H,4,6-10,13H2;2-8H2,1H3;2-5H,1H3;9*1H;1H4;3*1H;;;/q;;;;;;9*-1;;;;;3*+1/p-3/b34-22+;;14-12+;14-11+
• InChIKey: MWWHWKVYTBYPKJ-DXYBUNCUSA-K
• XLogP: 14.72
• TPSA: 475.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 43
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2662.94
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine?

The IUPAC name of bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine (CID 157287483) is bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine.

What is the SMILES notation for bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine?

The canonical SMILES for bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine is Br[Re].Br[Re].C.CCCOCCOCC/N=C/c1ccccn1.CCCOCCOCCN.COc1ccccn1.Cc1ccc2c(c1)c(CC(=O)CCCOCCOCC/N=C/c1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1.Cl[Re].NCCOCCOCC/N=C/c1ccccn1.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.

What is the InChIKey of bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine?

The InChIKey is MWWHWKVYTBYPKJ-DXYBUNCUSA-K. The full InChI is InChI=1S/C32H34ClN3O4.C19H16ClNO3.C13H20N2O2.C12H19N3O2.C7H17NO2.C6H7NO.9CHO.CH4.2BrH.ClH.3Re/c1-23-8-13-31-30(20-23)29(24(2)36(31)32(38)25-9-11-26(33)12-10-25)21-28(37)7-5-16-39-18-19-40-17-15-34-22-27-6-3-4-14-35-27;1-11-3-8-17-16(9-11)15(10-18(22)23)12(2)21(17)19(24)13-4-6-14(20)7-5-13;1-2-8-16-10-11-17-9-7-14-12-13-5-3-4-6-15-13;13-4-7-16-9-10-17-8-6-14-11-12-3-1-2-5-15-12;1-2-4-9-6-7-10-5-3-8;1-8-6-4-2-3-5-7-6;9*1-2;;;;;;;/h3-4,6,8-14,20,22H,5,7,15-19,21H2,1-2H3;3-9H,10H2,1-2H3,(H,22,23);3-6,12H,2,7-11H2,1H3;1-3,5,11H,4,6-10,13H2;2-8H2,1H3;2-5H,1H3;9*1H;1H4;3*1H;;;/q;;;;;;9*-1;;;;;3*+1/p-3/b34-22+;;14-12+;14-11+;;;;;;;;;;;;;;;;;;.

What are the key properties of bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine?

bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine has a molecular weight of 2662.94 g/mol, XLogP of 14.72, 43 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bromorhenium;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-5-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]pentan-2-one;chlororhenium;methane;methanone;2-methoxypyridine;2-(2-propoxyethoxy)ethanamine;N-[2-(2-propoxyethoxy)ethyl]-1-pyridin-2-ylmethanimine;2-[2-[2-(pyridin-2-ylmethylideneamino)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 157287483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).