dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine

C52H57Br3K2N10O10 — CID 165044900

About dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine

dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 165044900) has the molecular formula C52H57Br3K2N10O10 and a molecular weight of 1300.00 g/mol. Its IUPAC name is dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine
• PubChem CID: 165044900
• Molecular Formula: C52H57Br3K2N10O10
• Molecular Weight: 1300.00 g/mol
• Exact Mass: 1296.11
• IUPAC Name: dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine
• SMILES: CC(Br)C(=O)Nc1ccc(Cc2ccccn2)cn1.CC(Br)C(=O)O.CC(C)(C)[O-].COC(=O)Cc1ccccn1.Nc1ccc(Cc2ccccn2)cn1.O=C([O-])Cc1ccccn1.O=[N+]([O-])c1ccc(Br)cn1.[K+].[K+]
• InChI: InChI=1S/C14H14BrN3O.C11H11N3.C8H9NO2.C7H7NO2.C5H3BrN2O2.C4H9O.C3H5BrO2.2K/c1-10(15)14(19)18-13-6-5-11(9-17-13)8-12-4-2-3-7-16-12;12-11-5-4-9(8-14-11)7-10-3-1-2-6-13-10;1-11-8(10)6-7-4-2-3-5-9-7;9-7(10)5-6-3-1-2-4-8-6;6-4-1-2-5(7-3-4)8(9)10;1-4(2,3)5;1-2(4)3(5)6;;/h2-7,9-10H,8H2,1H3,(H,17,18,19);1-6,8H,7H2,(H2,12,14);2-5H,6H2,1H3;1-4H,5H2,(H,9,10);1-3H;1-3H3;2H,1H3,(H,5,6);;/q;;;;;-1;;2*+1/p-1
• InChIKey: OSUPTKOQCLOPTD-UHFFFAOYSA-M
• XLogP: 1.37
• TPSA: 315.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1300.00
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine?

The IUPAC name of dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine (CID 165044900) is dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine.

What is the SMILES notation for dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine?

The canonical SMILES for dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine is CC(Br)C(=O)Nc1ccc(Cc2ccccn2)cn1.CC(Br)C(=O)O.CC(C)(C)[O-].COC(=O)Cc1ccccn1.Nc1ccc(Cc2ccccn2)cn1.O=C([O-])Cc1ccccn1.O=[N+]([O-])c1ccc(Br)cn1.[K+].[K+].

What is the InChIKey of dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine?

The InChIKey is OSUPTKOQCLOPTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14BrN3O.C11H11N3.C8H9NO2.C7H7NO2.C5H3BrN2O2.C4H9O.C3H5BrO2.2K/c1-10(15)14(19)18-13-6-5-11(9-17-13)8-12-4-2-3-7-16-12;12-11-5-4-9(8-14-11)7-10-3-1-2-6-13-10;1-11-8(10)6-7-4-2-3-5-9-7;9-7(10)5-6-3-1-2-4-8-6;6-4-1-2-5(7-3-4)8(9)10;1-4(2,3)5;1-2(4)3(5)6;;/h2-7,9-10H,8H2,1H3,(H,17,18,19);1-6,8H,7H2,(H2,12,14);2-5H,6H2,1H3;1-4H,5H2,(H,9,10);1-3H;1-3H3;2H,1H3,(H,5,6);;/q;;;;;-1;;2*+1/p-1.

What are the key properties of dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine?

dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 1300.00 g/mol, XLogP of 1.37, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;5-bromo-2-nitropyridine;2-bromopropanoic acid;2-bromo-N-[5-(pyridin-2-ylmethyl)-2-pyridinyl]propanamide;2-methylpropan-2-olate;methyl 2-pyridin-2-ylacetate;2-pyridin-2-ylacetate;5-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 165044900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).