[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)

C33H24N5O4Ru — CID 58321388

About [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)

[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (PubChem CID 58321388) has the molecular formula C33H24N5O4Ru and a molecular weight of 655.66 g/mol. Its IUPAC name is [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+).

Molecular Properties

• Compound Name: [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
• PubChem CID: 58321388
• Molecular Formula: C33H24N5O4Ru
• Molecular Weight: 655.66 g/mol
• Exact Mass: 656.09
• IUPAC Name: [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
• SMILES: O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru+].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C12H8N2O4.C11H8N.C10H8N2.Ru/c15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-8H;1-6,8-9H;1-8H;/q;-1;;+1
• InChIKey: WFAVKVYRLNSCNP-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 117.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.66
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The IUPAC name of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (CID 58321388) is [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+).

What is the SMILES notation for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The canonical SMILES for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru+].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The InChIKey is WFAVKVYRLNSCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4.C11H8N.C10H8N2.Ru/c15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-8H;1-6,8-9H;1-8H;/q;-1;;+1.

What are the key properties of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) has a molecular weight of 655.66 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is sourced from PubChem (CID 58321388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).