2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)

C35H24N5O8Ru — CID 58321403

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+) (PubChem CID 58321403) has the molecular formula C35H24N5O8Ru and a molecular weight of 743.67 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+).

Molecular Properties

• Compound Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)
• PubChem CID: 58321403
• Molecular Formula: C35H24N5O8Ru
• Molecular Weight: 743.67 g/mol
• Exact Mass: 744.07
• IUPAC Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)
• SMILES: O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru+].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C12H8N2O4.C11H8N.Ru/c15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8H;1-6H,(H,15,16)(H,17,18);1-6,8-9H;/q;;-1;+1
• InChIKey: IGQIUNUNTLQMMK-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 191.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	743.67
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+) (CID 58321403) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+).

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+) is O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru+].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)?

The InChIKey is IGQIUNUNTLQMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2O4.C11H8N.Ru/c15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8H;1-6H,(H,15,16)(H,17,18);1-6,8-9H;/q;;-1;+1.

What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)?

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+) has a molecular weight of 743.67 g/mol, XLogP of 5.30, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+) is sourced from PubChem (CID 58321403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).