[2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate

C41H26F3N7O5RuS3 — CID 153435343

About [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate

[2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate (PubChem CID 153435343) has the molecular formula C41H26F3N7O5RuS3 and a molecular weight of 950.97 g/mol. Its IUPAC name is [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate.

Molecular Properties

• Compound Name: [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
• PubChem CID: 153435343
• Molecular Formula: C41H26F3N7O5RuS3
• Molecular Weight: 950.97 g/mol
• Exact Mass: 951.02
• IUPAC Name: [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
• SMILES: Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)o1.[N-]=C=S.[Ru+2]
• InChI: InChI=1S/C26H17N3O4S2.C14H9F3N3O.CNS.Ru/c1-16-2-3-25(35-16)26-9-18(13-34-26)17-4-6-27-21(8-17)23-11-20(33-15-31)12-24(29-23)22-10-19(32-14-30)5-7-28-22;1-8-2-5-12(21-8)9-3-4-10(18-7-9)11-6-13(20-19-11)14(15,16)17;2-1-3;/h2-15H,1H3;2-7H,1H3;;/q;2*-1;+2
• InChIKey: RHIOTIGJFFZDPA-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 166.59 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	950.97
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate?

The IUPAC name of [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate (CID 153435343) is [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate.

What is the SMILES notation for [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate?

The canonical SMILES for [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate is Cc1ccc(-c2cc(-c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cs2)s1.Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)o1.[N-]=C=S.[Ru+2].

What is the InChIKey of [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate?

The InChIKey is RHIOTIGJFFZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O4S2.C14H9F3N3O.CNS.Ru/c1-16-2-3-25(35-16)26-9-18(13-34-26)17-4-6-27-21(8-17)23-11-20(33-15-31)12-24(29-23)22-10-19(32-14-30)5-7-28-22;1-8-2-5-12(21-8)9-3-4-10(18-7-9)11-6-13(20-19-11)14(15,16)17;2-1-3;/h2-15H,1H3;2-7H,1H3;;/q;2*-1;+2.

What are the key properties of [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate?

[2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate has a molecular weight of 950.97 g/mol, XLogP of 10.39, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate is sourced from PubChem (CID 153435343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).