3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+)

C21H10F8N4Pt — CID 59022114

About 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+)

3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+) (PubChem CID 59022114) has the molecular formula C21H10F8N4Pt and a molecular weight of 665.40 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+).

Molecular Properties

• Compound Name: 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+)
• PubChem CID: 59022114
• Molecular Formula: C21H10F8N4Pt
• Molecular Weight: 665.40 g/mol
• Exact Mass: 665.04
• IUPAC Name: 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+)
• SMILES: FC(F)(F)c1cc(C(F)(F)F)[n-]n1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.[Pt+2]
• InChI: InChI=1S/C16H9F2N2.C5HF6N2.Pt/c17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;6-4(7,8)2-1-3(13-12-2)5(9,10)11;/h1-8,10H;1H;/q2*-1;+2
• InChIKey: LFDZWWMYFDIZFV-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 52.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.40
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+)?

The IUPAC name of 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+) (CID 59022114) is 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+).

What is the SMILES notation for 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+)?

The canonical SMILES for 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+) is FC(F)(F)c1cc(C(F)(F)F)[n-]n1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.[Pt+2].

What is the InChIKey of 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+)?

The InChIKey is LFDZWWMYFDIZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N2.C5HF6N2.Pt/c17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;6-4(7,8)2-1-3(13-12-2)5(9,10)11;/h1-8,10H;1H;/q2*-1;+2.

What are the key properties of 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+)?

3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+) has a molecular weight of 665.40 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+) is sourced from PubChem (CID 59022114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).