magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride

C114H156BBr5Cl3IMgN14O19 — CID 157251231

About magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride

magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride (PubChem CID 157251231) has the molecular formula C114H156BBr5Cl3IMgN14O19 and a molecular weight of 2694.48 g/mol. Its IUPAC name is magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride.

Molecular Properties

• Compound Name: magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride
• PubChem CID: 157251231
• Molecular Formula: C114H156BBr5Cl3IMgN14O19
• Molecular Weight: 2694.48 g/mol
• Exact Mass: 2686.56
• IUPAC Name: magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride
• SMILES: Brc1cc[c-]nc1.Brc1ccc(CN2CCOCC2)nc1.Brc1ccc(I)nc1.C.C.C.C1CN(CN2CCOCC2)CCO1.C1COCCN1.C=[N+]1CCOCC1.CC(=O)Cl.CC(C)(C)OC(=O)Nc1ccc(B(O)O)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(Br)c2ccccc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CO.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.[Cl-].[Cl-].[Mg+2]
• InChI: InChI=1S/C20H21N3O.C15H18BNO4.C15H16BrNO2.C10H13BrN2O.C10H8BrN.C10H18O5.C9H18N2O2.C5H3BrIN.C5H3BrN.C5H10NO.C4H9NO.C2H3ClO.CH4O.3CH4.2ClH.Mg/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-15(2,3)21-14(18)17-13-9-8-12(16(19)20)10-6-4-5-7-11(10)13;1-15(2,3)19-14(18)17-13-9-8-12(16)10-6-4-5-7-11(10)13;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-5-12-6-2-10(1)9-11-3-7-13-8-4-11;6-4-1-2-5(7)8-3-4;6-5-2-1-3-7-4-5;1-6-2-4-7-5-3-6;1-3-6-4-2-5-1;1-2(3)4;1-2;;;;;;/h1-8,13H,9-12,14,21H2;4-9,19-20H,1-3H3,(H,17,18);4-9H,1-3H3,(H,17,18);1-2,7H,3-6,8H2;1-6H,12H2;1-6H3;1-9H2;1-3H;1-2,4H;1-5H2;5H,1-4H2;1H3;2H,1H3;3*1H4;2*1H;/q;;;;;;;;-1;+1;;;;;;;;;+2/p-2
• InChIKey: VXBWSLBAKSKYPI-UHFFFAOYSA-L
• XLogP: 16.82
• TPSA: 403.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2694.48
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride?

The IUPAC name of magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride (CID 157251231) is magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride.

What is the SMILES notation for magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride?

The canonical SMILES for magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride is Brc1cc[c-]nc1.Brc1ccc(CN2CCOCC2)nc1.Brc1ccc(I)nc1.C.C.C.C1CN(CN2CCOCC2)CCO1.C1COCCN1.C=[N+]1CCOCC1.CC(=O)Cl.CC(C)(C)OC(=O)Nc1ccc(B(O)O)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(Br)c2ccccc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CO.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.[Cl-].[Cl-].[Mg+2].

What is the InChIKey of magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride?

The InChIKey is VXBWSLBAKSKYPI-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H21N3O.C15H18BNO4.C15H16BrNO2.C10H13BrN2O.C10H8BrN.C10H18O5.C9H18N2O2.C5H3BrIN.C5H3BrN.C5H10NO.C4H9NO.C2H3ClO.CH4O.3CH4.2ClH.Mg/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-15(2,3)21-14(18)17-13-9-8-12(16(19)20)10-6-4-5-7-11(10)13;1-15(2,3)19-14(18)17-13-9-8-12(16)10-6-4-5-7-11(10)13;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-5-12-6-2-10(1)9-11-3-7-13-8-4-11;6-4-1-2-5(7)8-3-4;6-5-2-1-3-7-4-5;1-6-2-4-7-5-3-6;1-3-6-4-2-5-1;1-2(3)4;1-2;;;;;;/h1-8,13H,9-12,14,21H2;4-9,19-20H,1-3H3,(H,17,18);4-9H,1-3H3,(H,17,18);1-2,7H,3-6,8H2;1-6H,12H2;1-6H3;1-9H2;1-3H;1-2,4H;1-5H2;5H,1-4H2;1H3;2H,1H3;3*1H4;2*1H;/q;;;;;;;;-1;+1;;;;;;;;;+2/p-2.

What are the key properties of magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride?

magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride has a molecular weight of 2694.48 g/mol, XLogP of 16.82, 10 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;acetyl chloride;5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromo-2H-pyridin-2-ide;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methanol;4-methylidenemorpholin-4-ium;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;morpholine;4-(morpholin-4-ylmethyl)morpholine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;dichloride is sourced from PubChem (CID 157251231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).