3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C20H12F5N5OPt — CID 168793695

About 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 168793695) has the molecular formula C20H12F5N5OPt and a molecular weight of 628.42 g/mol. Its IUPAC name is 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 168793695
• Molecular Formula: C20H12F5N5OPt
• Molecular Weight: 628.42 g/mol
• Exact Mass: 628.06
• IUPAC Name: 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: COc1ccc(-c2[c-]cc(F)cc2F)nn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2]
• InChI: InChI=1S/C11H7F2N2O.C9H5F3N3.Pt/c1-16-11-5-4-10(14-15-11)8-3-2-7(12)6-9(8)13;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h2,4-6H,1H3;1-5H;/q2*-1;+2
• InChIKey: WJKZICNJYKFLBY-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 74.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.42
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 168793695) is 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is COc1ccc(-c2[c-]cc(F)cc2F)nn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].

What is the InChIKey of 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is WJKZICNJYKFLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N2O.C9H5F3N3.Pt/c1-16-11-5-4-10(14-15-11)8-3-2-7(12)6-9(8)13;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h2,4-6H,1H3;1-5H;/q2*-1;+2.

What are the key properties of 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 628.42 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 168793695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).