2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)

About 2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)

2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+) (PubChem CID 144596620) has the molecular formula C30H20F3N8O4Ru and a molecular weight of 714.61 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+).

Molecular Properties

Compound Name	2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)
PubChem CID	144596620
Molecular Formula	C30H20F3N8O4Ru
Molecular Weight	714.61 g/mol
Exact Mass	715.06
IUPAC Name	2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)
SMILES	C=C/N=C(\N=C)c1cc(C(=O)O)cc(-c2cc(C(=O)O)ccn2)n1.FC(F)(F)c1cc(-c2cccc(-c3ccccn3)n2)[n-]n1.[Ru+]
InChI	InChI=1S/C16H12N4O4.C14H8F3N4.Ru/c1-3-18-14(17-2)13-8-10(16(23)24)7-12(20-13)11-6-9(15(21)22)4-5-19-11;15-14(16,17)13-8-12(20-21-13)11-6-3-5-10(19-11)9-4-1-2-7-18-9;/h3-8H,1-2H2,(H,21,22)(H,23,24);1-8H;/q;-1;+1/b18-14-;;
InChIKey	KIEBFKZTVZTFMT-RQNMHTNWSA-N
XLogP	5.31
TPSA	177.87 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.61
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+) (CID 144596620) is 2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+).

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+) is C=C/N=C(\N=C)c1cc(C(=O)O)cc(-c2cc(C(=O)O)ccn2)n1.FC(F)(F)c1cc(-c2cccc(-c3ccccn3)n2)[n-]n1.[Ru+].

What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)?

The InChIKey is KIEBFKZTVZTFMT-RQNMHTNWSA-N. The full InChI is InChI=1S/C16H12N4O4.C14H8F3N4.Ru/c1-3-18-14(17-2)13-8-10(16(23)24)7-12(20-13)11-6-9(15(21)22)4-5-19-11;15-14(16,17)13-8-12(20-21-13)11-6-3-5-10(19-11)9-4-1-2-7-18-9;/h3-8H,1-2H2,(H,21,22)(H,23,24);1-8H;/q;-1;+1/b18-14-;;.

What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)?

2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+) has a molecular weight of 714.61 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-2-pyridinyl)-6-(N'-ethenyl-N-methylidenecarbamimidoyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+) is sourced from PubChem (CID 144596620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).