2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)

C31H24N7O4Ru — CID 58510487

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (PubChem CID 58510487) has the molecular formula C31H24N7O4Ru and a molecular weight of 659.65 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+).

Molecular Properties

• Compound Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
• PubChem CID: 58510487
• Molecular Formula: C31H24N7O4Ru
• Molecular Weight: 659.65 g/mol
• Exact Mass: 660.09
• IUPAC Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
• SMILES: Cc1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C12H8N2O4.C10H8N2.C9H8N3.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7-6-9(12-11-7)8-4-2-3-5-10-8;/h1-6H,(H,15,16)(H,17,18);1-8H;2-6H,1H3;/q;;-1;+1
• InChIKey: IPIOVDAXTHWVBC-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 166.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.65
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (CID 58510487) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+).

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is Cc1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The InChIKey is IPIOVDAXTHWVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4.C10H8N2.C9H8N3.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7-6-9(12-11-7)8-4-2-3-5-10-8;/h1-6H,(H,15,16)(H,17,18);1-8H;2-6H,1H3;/q;;-1;+1.

What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+) has a molecular weight of 659.65 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is sourced from PubChem (CID 58510487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).