2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+)

C48H30FN9O6Ru — CID 140678514

About 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+)

2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+) (PubChem CID 140678514) has the molecular formula C48H30FN9O6Ru and a molecular weight of 948.89 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+).

Molecular Properties

• Compound Name: 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+)
• PubChem CID: 140678514
• Molecular Formula: C48H30FN9O6Ru
• Molecular Weight: 948.89 g/mol
• Exact Mass: 949.13
• IUPAC Name: 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+)
• SMILES: Fc1c[c-]c(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(-c3nnn[n-]3)n2)cc1.O=COc1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c1.[Ru+2]
• InChI: InChI=1S/C30H19FN6.C18H11N3O6.Ru/c31-24-15-11-22(12-16-24)28-19-23(20-29(32-28)30-33-35-36-34-30)21-13-17-27(18-14-21)37(25-7-3-1-4-8-25)26-9-5-2-6-10-26;22-9-27-12-2-4-20-14(8-12)16-7-11(18(25)26)6-15(21-16)13-5-10(17(23)24)1-3-19-13;/h1-11,13-20H;1-9H,(H,23,24)(H,25,26);/q-2;;+2
• InChIKey: DRYDVVRJDMWMHA-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 208.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	948.89
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+)?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+) (CID 140678514) is 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+).

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+)?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+) is Fc1c[c-]c(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(-c3nnn[n-]3)n2)cc1.O=COc1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c1.[Ru+2].

What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+)?

The InChIKey is DRYDVVRJDMWMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19FN6.C18H11N3O6.Ru/c31-24-15-11-22(12-16-24)28-19-23(20-29(32-28)30-33-35-36-34-30)21-13-17-27(18-14-21)37(25-7-3-1-4-8-25)26-9-5-2-6-10-26;22-9-27-12-2-4-20-14(8-12)16-7-11(18(25)26)6-15(21-16)13-5-10(17(23)24)1-3-19-13;/h1-11,13-20H;1-9H,(H,23,24)(H,25,26);/q-2;;+2.

What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+)?

2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+) has a molecular weight of 948.89 g/mol, XLogP of 8.77, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-2-pyridinyl)-6-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-fluorobenzene-6-id-1-yl)-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-4-pyridinyl]-N,N-diphenylaniline;ruthenium(2+) is sourced from PubChem (CID 140678514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).