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

C48H48F3N10O4RuS2 — CID 146861290

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

2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+) (PubChem CID 146861290) has the molecular formula C48H48F3N10O4RuS2 and a molecular weight of 1051.18 g/mol. Its IUPAC name is 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;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: 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+)
• PubChem CID: 146861290
• Molecular Formula: C48H48F3N10O4RuS2
• Molecular Weight: 1051.18 g/mol
• Exact Mass: 1051.23
• IUPAC Name: 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+)
• SMILES: CCCCCCc1ccc(-c2ccnc(-c3cc(-c4ccc(CCCCCC)s4)ccn3)c2)s1.Cc1nc(-c2nc(C(F)(F)F)n[n-]2)n[nH]1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+]
• InChI: InChI=1S/C30H36N2S2.C12H8N2O4.C6H4F3N6.Ru/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2;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;/h13-22H,3-12H2,1-2H3;1-7H,(H,16,17);1H3,(H-,10,11,12,13,14,15);/q;;-1;+1
• InChIKey: SKRVJBWSTICIHI-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 196.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1051.18
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;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 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+) (CID 146861290) is 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;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 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;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 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;ruthenium(1+) is CCCCCCc1ccc(-c2ccnc(-c3cc(-c4ccc(CCCCCC)s4)ccn3)c2)s1.Cc1nc(-c2nc(C(F)(F)F)n[n-]2)n[nH]1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].

What is the InChIKey of 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;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 SKRVJBWSTICIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2S2.C12H8N2O4.C6H4F3N6.Ru/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2;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;/h13-22H,3-12H2,1-2H3;1-7H,(H,16,17);1H3,(H-,10,11,12,13,14,15);/q;;-1;+1.

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

2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;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 1051.18 g/mol, XLogP of 11.77, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine;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 146861290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).