bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+)

C30H20F3N10O8Ru — CID 160708419

About bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+)

bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+) (PubChem CID 160708419) has the molecular formula C30H20F3N10O8Ru and a molecular weight of 806.62 g/mol. Its IUPAC name is bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+).

Molecular Properties

• Compound Name: bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+)
• PubChem CID: 160708419
• Molecular Formula: C30H20F3N10O8Ru
• Molecular Weight: 806.62 g/mol
• Exact Mass: 807.05
• IUPAC Name: bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+)
• SMILES: Cc1nc(-c2nc(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.C6H4F3N6.Ru/c2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;1-2-10-3(13-12-2)4-11-5(15-14-4)6(7,8)9;/h2*1-7H,(H,16,17);1H3,(H-,10,11,12,13,14,15);/q;;-1;+1
• InChIKey: RRNLWDHQNUGXPD-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 260.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.62
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+)?

The IUPAC name of bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+) (CID 160708419) is bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+).

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

The canonical SMILES for bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+) is Cc1nc(-c2nc(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);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+)?

The InChIKey is RRNLWDHQNUGXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2O4.C6H4F3N6.Ru/c2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;1-2-10-3(13-12-2)4-11-5(15-14-4)6(7,8)9;/h2*1-7H,(H,16,17);1H3,(H-,10,11,12,13,14,15);/q;;-1;+1.

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

bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+) has a molecular weight of 806.62 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+) is sourced from PubChem (CID 160708419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).