2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C28H21F3N8Ru — CID 58510491

About 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 58510491) has the molecular formula C28H21F3N8Ru and a molecular weight of 627.60 g/mol. Its IUPAC name is 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 58510491
• Molecular Formula: C28H21F3N8Ru
• Molecular Weight: 627.60 g/mol
• Exact Mass: 628.09
• IUPAC Name: 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ru+2].c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C10H8N2.C9H5F3N3.C9H8N3.Ru/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;/h1-8H;1-5H;2-6H,1H3;/q;2*-1;+2
• InChIKey: CZIQNYQWSCHDMM-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 105.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.60
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 58510491) is 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ru+2].c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is CZIQNYQWSCHDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C9H5F3N3.C9H8N3.Ru/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;/h1-8H;1-5H;2-6H,1H3;/q;2*-1;+2.

What are the key properties of 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 627.60 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 58510491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).