2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium

C51H40N6O7Ru — CID 59600820

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium (PubChem CID 59600820) has the molecular formula C51H40N6O7Ru and a molecular weight of 949.99 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium.

Molecular Properties

• Compound Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium
• PubChem CID: 59600820
• Molecular Formula: C51H40N6O7Ru
• Molecular Weight: 949.99 g/mol
• Exact Mass: 950.20
• IUPAC Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium
• SMILES: C=CC(=O)OCc1ccc(C=Cc2ccc(OCc3ccnc(-c4ccccn4)c3)cc2)cc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C29H24N2O3.C12H8N2O4.C10H8N2.Ru/c1-2-29(32)34-20-24-10-8-22(9-11-24)6-7-23-12-14-26(15-13-23)33-21-25-16-18-31-28(19-25)27-5-3-4-17-30-27;15-11(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;/h2-19H,1,20-21H2;1-6H,(H,15,16)(H,17,18);1-8H
• InChIKey: OPVURMLFQFUQRH-UHFFFAOYSA-N
• XLogP: 9.80
• TPSA: 187.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.99
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium (CID 59600820) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium.

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium is C=CC(=O)OCc1ccc(C=Cc2ccc(OCc3ccnc(-c4ccccn4)c3)cc2)cc1.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-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium?

The InChIKey is OPVURMLFQFUQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3.C12H8N2O4.C10H8N2.Ru/c1-2-29(32)34-20-24-10-8-22(9-11-24)6-7-23-12-14-26(15-13-23)33-21-25-16-18-31-28(19-25)27-5-3-4-17-30-27;15-11(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;/h2-19H,1,20-21H2;1-6H,(H,15,16)(H,17,18);1-8H;.

What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium?

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium has a molecular weight of 949.99 g/mol, XLogP of 9.80, 13 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-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium is sourced from PubChem (CID 59600820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).