magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride

C43H65BrClMgN7O8 — CID 157324821

About magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride

magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride (PubChem CID 157324821) has the molecular formula C43H65BrClMgN7O8 and a molecular weight of 957.74 g/mol. Its IUPAC name is magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride.

Molecular Properties

• Compound Name: magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride
• PubChem CID: 157324821
• Molecular Formula: C43H65BrClMgN7O8
• Molecular Weight: 957.74 g/mol
• Exact Mass: 955.40
• IUPAC Name: magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride
• SMILES: C.C.C.C.C.CNCO.[3H]c1ccc(C(=O)CBr)nc1.[3H]c1ccc(C(=O)N(C)CO)nc1.[3H]c1ccc(C(=O)O)nc1.[3H]c1ccc(C(C)=O)nc1.[3H]c1ccc(C(C)=O)nc1.[CH3-].[Cl-].[Mg+2]
• InChI: InChI=1S/C8H10N2O2.C7H6BrNO.2C7H7NO.C6H5NO2.C2H7NO.5CH4.CH3.ClH.Mg/c1-10(6-11)8(12)7-4-2-3-5-9-7;8-5-7(10)6-3-1-2-4-9-6;2*1-6(9)7-4-2-3-5-8-7;8-6(9)5-3-1-2-4-7-5;1-3-2-4;;;;;;;;/h2-5,11H,6H2,1H3;1-4H,5H2;2*2-5H,1H3;1-4H,(H,8,9);3-4H,2H2,1H3;5*1H4;1H3;1H;/q;;;;;;;;;;;-1;;+2/p-1/i3T;2T;2*3T;2T
• InChIKey: NTHPPRYVZJHXBC-GWSJKMOSSA-M
• XLogP: 4.52
• TPSA: 225.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.74
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride?

The IUPAC name of magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride (CID 157324821) is magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride.

What is the SMILES notation for magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride?

The canonical SMILES for magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride is C.C.C.C.C.CNCO.[3H]c1ccc(C(=O)CBr)nc1.[3H]c1ccc(C(=O)N(C)CO)nc1.[3H]c1ccc(C(=O)O)nc1.[3H]c1ccc(C(C)=O)nc1.[3H]c1ccc(C(C)=O)nc1.[CH3-].[Cl-].[Mg+2].

What is the InChIKey of magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride?

The InChIKey is NTHPPRYVZJHXBC-GWSJKMOSSA-M. The full InChI is InChI=1S/C8H10N2O2.C7H6BrNO.2C7H7NO.C6H5NO2.C2H7NO.5CH4.CH3.ClH.Mg/c1-10(6-11)8(12)7-4-2-3-5-9-7;8-5-7(10)6-3-1-2-4-9-6;2*1-6(9)7-4-2-3-5-8-7;8-6(9)5-3-1-2-4-7-5;1-3-2-4;;;;;;;;/h2-5,11H,6H2,1H3;1-4H,5H2;2*2-5H,1H3;1-4H,(H,8,9);3-4H,2H2,1H3;5*1H4;1H3;1H;/q;;;;;;;;;;;-1;;+2/p-1/i3T;2T;2*3T;2T;;;;;;;;;.

What are the key properties of magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride?

magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride has a molecular weight of 957.74 g/mol, XLogP of 4.52, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-bromo-1-(5-tritio-2-pyridinyl)ethanone;carbanide;N-(hydroxymethyl)-N-methyl-5-tritiopyridine-2-carboxamide;methane;methylaminomethanol;5-tritiopyridine-2-carboxylic acid;bis(1-(5-tritio-2-pyridinyl)ethanone);chloride is sourced from PubChem (CID 157324821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).