sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate

C40H25BrCl2FN12NaO4 — CID 158255928

About sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate

sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate (PubChem CID 158255928) has the molecular formula C40H25BrCl2FN12NaO4 and a molecular weight of 929.52 g/mol. Its IUPAC name is sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate.

Molecular Properties

• Compound Name: sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate
• PubChem CID: 158255928
• Molecular Formula: C40H25BrCl2FN12NaO4
• Molecular Weight: 929.52 g/mol
• Exact Mass: 927.06
• IUPAC Name: sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate
• SMILES: O=C(CBr)c1ccnc(Cl)c1.O=CO[O-].[C-]#[N+]c1ccc(N)nc1.[C-]#[N+]c1ccc2nc(-c3ccnc(Cl)c3)cn2c1.[C-]#[N+]c1ccc2nc(-c3ccnc([18F])c3)cn2c1.[Na+]
• InChI: InChI=1S/C13H7ClN4.C13H7FN4.C7H5BrClNO.C6H5N3.CH2O3.Na/c2*1-15-10-2-3-13-17-11(8-18(13)7-10)9-4-5-16-12(14)6-9;8-4-6(11)5-1-2-10-7(9)3-5;1-8-5-2-3-6(7)9-4-5;2-1-4-3;/h2*2-8H;1-3H,4H2;2-4H,(H2,7,9);1,3H;/q;;;;;+1/p-1/i;14-1
• InChIKey: GHHAOJCGPQWZBB-KRNXDEMSSA-M
• XLogP: 5.65
• TPSA: 191.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	929.52
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate?

The IUPAC name of sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate (CID 158255928) is sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate.

What is the SMILES notation for sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate?

The canonical SMILES for sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate is O=C(CBr)c1ccnc(Cl)c1.O=CO[O-].[C-]#[N+]c1ccc(N)nc1.[C-]#[N+]c1ccc2nc(-c3ccnc(Cl)c3)cn2c1.[C-]#[N+]c1ccc2nc(-c3ccnc([18F])c3)cn2c1.[Na+].

What is the InChIKey of sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate?

The InChIKey is GHHAOJCGPQWZBB-KRNXDEMSSA-M. The full InChI is InChI=1S/C13H7ClN4.C13H7FN4.C7H5BrClNO.C6H5N3.CH2O3.Na/c2*1-15-10-2-3-13-17-11(8-18(13)7-10)9-4-5-16-12(14)6-9;8-4-6(11)5-1-2-10-7(9)3-5;1-8-5-2-3-6(7)9-4-5;2-1-4-3;/h2*2-8H;1-3H,4H2;2-4H,(H2,7,9);1,3H;/q;;;;;+1/p-1/i;14-1;;;;.

What are the key properties of sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate?

sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate has a molecular weight of 929.52 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate is sourced from PubChem (CID 158255928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).