bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+)

C32H22F3N8O8Ru — CID 149077742

About bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+)

bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+) (PubChem CID 149077742) has the molecular formula C32H22F3N8O8Ru and a molecular weight of 804.64 g/mol. Its IUPAC name is bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+).

Molecular Properties

• Compound Name: bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+)
• PubChem CID: 149077742
• Molecular Formula: C32H22F3N8O8Ru
• Molecular Weight: 804.64 g/mol
• Exact Mass: 805.06
• IUPAC Name: bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+)
• SMILES: Cc1cc(-c2cc(C(F)(F)F)n[n-]2)n[nH]1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+]
• InChI: InChI=1S/2C12H8N2O4.C8H6F3N4.Ru/c2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;1-4-2-5(13-12-4)6-3-7(15-14-6)8(9,10)11;/h2*1-7H,(H,16,17);2-3H,1H3,(H-,12,13,14,15);/q;;-1;+1
• InChIKey: QPNDSZNUCHFTHZ-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 234.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.64
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+)?

The IUPAC name of bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+) (CID 149077742) is bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+).

What is the SMILES notation for bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+)?

The canonical SMILES for bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+) is Cc1cc(-c2cc(C(F)(F)F)n[n-]2)n[nH]1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].

What is the InChIKey of bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+)?

The InChIKey is QPNDSZNUCHFTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2O4.C8H6F3N4.Ru/c2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;1-4-2-5(13-12-4)6-3-7(15-14-6)8(9,10)11;/h2*1-7H,(H,16,17);2-3H,1H3,(H-,12,13,14,15);/q;;-1;+1.

What are the key properties of bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+)?

bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+) has a molecular weight of 804.64 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+) is sourced from PubChem (CID 149077742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).