2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate

C61H44F3N7O11RuS — CID 119057290

About 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate

2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate (PubChem CID 119057290) has the molecular formula C61H44F3N7O11RuS and a molecular weight of 1241.19 g/mol. Its IUPAC name is 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate.

Molecular Properties

• Compound Name: 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate
• PubChem CID: 119057290
• Molecular Formula: C61H44F3N7O11RuS
• Molecular Weight: 1241.19 g/mol
• Exact Mass: 1241.18
• IUPAC Name: 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate
• SMILES: COc1ccc(N(c2ccc(OC)cc2)c2cc(C)c(-c3ccc(-c4cc(-c5[c-]ccc(C(F)(F)F)c5)nc(-c5ccccn5)c4)s3)c(C)c2)cc1.O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=[N+]([O-])[O-].[Ru+2]
• InChI: InChI=1S/C43H33F3N3O2S.C18H11N3O6.NO3.Ru/c1-27-22-34(49(32-11-15-35(50-3)16-12-32)33-13-17-36(51-4)18-14-33)23-28(2)42(27)41-20-19-40(52-41)30-25-38(29-8-7-9-31(24-29)43(44,45)46)48-39(26-30)37-10-5-6-21-47-37;22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13;2-1(3)4;/h5-7,9-26H,1-4H3;1-8H,(H,22,23)(H,24,25)(H,26,27);;/q-1;;-1;+2
• InChIKey: BGEAJNZOGASYST-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 264.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1241.19
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate?

The IUPAC name of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate (CID 119057290) is 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate.

What is the SMILES notation for 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate?

The canonical SMILES for 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate is COc1ccc(N(c2ccc(OC)cc2)c2cc(C)c(-c3ccc(-c4cc(-c5[c-]ccc(C(F)(F)F)c5)nc(-c5ccccn5)c4)s3)c(C)c2)cc1.O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=[N+]([O-])[O-].[Ru+2].

What is the InChIKey of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate?

The InChIKey is BGEAJNZOGASYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33F3N3O2S.C18H11N3O6.NO3.Ru/c1-27-22-34(49(32-11-15-35(50-3)16-12-32)33-13-17-36(51-4)18-14-33)23-28(2)42(27)41-20-19-40(52-41)30-25-38(29-8-7-9-31(24-29)43(44,45)46)48-39(26-30)37-10-5-6-21-47-37;22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13;2-1(3)4;/h5-7,9-26H,1-4H3;1-8H,(H,22,23)(H,24,25)(H,26,27);;/q-1;;-1;+2.

What are the key properties of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate?

2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate has a molecular weight of 1241.19 g/mol, XLogP of 14.19, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]thiophen-2-yl]aniline;ruthenium(2+);nitrate is sourced from PubChem (CID 119057290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).