magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide

C88H67BBr3MgN13O4 — CID 158999527

About magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide

magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide (PubChem CID 158999527) has the molecular formula C88H67BBr3MgN13O4 and a molecular weight of 1645.42 g/mol. Its IUPAC name is magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide.

Molecular Properties

• Compound Name: magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide
• PubChem CID: 158999527
• Molecular Formula: C88H67BBr3MgN13O4
• Molecular Weight: 1645.42 g/mol
• Exact Mass: 1641.29
• IUPAC Name: magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide
• SMILES: Brc1ccc2nc(-c3ccc4ccc5cccnc5c4n3)ccc2c1.CC(=O)c1ccc2ccc3cccnc3c2n1.CC1(C)OB(c2ccc3nc(-c4ccccn4)ccc3c2)OC1(C)C.N#Cc1ccc2ccc3cccnc3c2n1.Nc1ccc(Br)cc1C=O.[Br-].[CH3-].[Mg+2].c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C21H12BrN3.C20H21BN2O2.C14H10N2O.C13H7N3.C12H8N2.C7H6BrNO.CH3.BrH.Mg/c22-16-7-10-17-15(12-16)6-9-18(24-17)19-8-5-14-4-3-13-2-1-11-23-20(13)21(14)25-19;1-19(2)20(3,4)25-21(24-19)15-9-11-16-14(13-15)8-10-18(23-16)17-7-5-6-12-22-17;1-9(17)12-7-6-11-5-4-10-3-2-8-15-13(10)14(11)16-12;14-8-11-6-5-10-4-3-9-2-1-7-15-12(9)13(10)16-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6-1-2-7(9)5(3-6)4-10;;;/h1-12H;5-13H,1-4H3;2-8H,1H3;1-7H;1-8H;1-4H,9H2;1H3;1H;/q;;;;;;-1;;+2/p-1
• InChIKey: HQHSMFARWYFUBU-UHFFFAOYSA-M
• XLogP: 16.70
• TPSA: 244.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1645.42
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide?

The IUPAC name of magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide (CID 158999527) is magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide.

What is the SMILES notation for magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide?

The canonical SMILES for magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide is Brc1ccc2nc(-c3ccc4ccc5cccnc5c4n3)ccc2c1.CC(=O)c1ccc2ccc3cccnc3c2n1.CC1(C)OB(c2ccc3nc(-c4ccccn4)ccc3c2)OC1(C)C.N#Cc1ccc2ccc3cccnc3c2n1.Nc1ccc(Br)cc1C=O.[Br-].[CH3-].[Mg+2].c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide?

The InChIKey is HQHSMFARWYFUBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H12BrN3.C20H21BN2O2.C14H10N2O.C13H7N3.C12H8N2.C7H6BrNO.CH3.BrH.Mg/c22-16-7-10-17-15(12-16)6-9-18(24-17)19-8-5-14-4-3-13-2-1-11-23-20(13)21(14)25-19;1-19(2)20(3,4)25-21(24-19)15-9-11-16-14(13-15)8-10-18(23-16)17-7-5-6-12-22-17;1-9(17)12-7-6-11-5-4-10-3-2-8-15-13(10)14(11)16-12;14-8-11-6-5-10-4-3-9-2-1-7-15-12(9)13(10)16-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6-1-2-7(9)5(3-6)4-10;;;/h1-12H;5-13H,1-4H3;2-8H,1H3;1-7H;1-8H;1-4H,9H2;1H3;1H;/q;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide?

magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide has a molecular weight of 1645.42 g/mol, XLogP of 16.70, 5 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-1,10-phenanthroline;carbanide;1,10-phenanthroline;1,10-phenanthroline-2-carbonitrile;1-(1,10-phenanthrolin-2-yl)ethanone;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;bromide is sourced from PubChem (CID 158999527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).