[2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate

C42H30F3N7O8RuS2 — CID 153445580

About [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate

[2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate (PubChem CID 153445580) has the molecular formula C42H30F3N7O8RuS2 and a molecular weight of 982.94 g/mol. Its IUPAC name is [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate.

Molecular Properties

• Compound Name: [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
• PubChem CID: 153445580
• Molecular Formula: C42H30F3N7O8RuS2
• Molecular Weight: 982.94 g/mol
• Exact Mass: 983.06
• IUPAC Name: [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
• SMILES: CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.O=COc1cc(-c2nccc3cc(OC=O)oc23)nc(-c2nccc3cc(OC=O)oc23)c1.[N-]=C=S.[Ru+2]
• InChI: InChI=1S/C22H11N3O8.C19H19F3N3S.CNS.Ru/c26-9-29-14-7-15(19-21-12(1-3-23-19)5-17(32-21)30-10-27)25-16(8-14)20-22-13(2-4-24-20)6-18(33-22)31-11-28;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;2-1-3;/h1-11H;7-12H,2-6H2,1H3;;/q;2*-1;+2
• InChIKey: IBWBPGQPMXJKMF-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 206.03 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	982.94
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate?

The IUPAC name of [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate (CID 153445580) is [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate.

What is the SMILES notation for [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate?

The canonical SMILES for [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate is CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.O=COc1cc(-c2nccc3cc(OC=O)oc23)nc(-c2nccc3cc(OC=O)oc23)c1.[N-]=C=S.[Ru+2].

What is the InChIKey of [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate?

The InChIKey is IBWBPGQPMXJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11N3O8.C19H19F3N3S.CNS.Ru/c26-9-29-14-7-15(19-21-12(1-3-23-19)5-17(32-21)30-10-27)25-16(8-14)20-22-13(2-4-24-20)6-18(33-22)31-11-28;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;2-1-3;/h1-11H;7-12H,2-6H2,1H3;;/q;2*-1;+2.

What are the key properties of [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate?

[2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate has a molecular weight of 982.94 g/mol, XLogP of 9.93, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [2,6-bis(2-formyloxyfuro[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate is sourced from PubChem (CID 153445580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).