2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate)

C31H20F4N5Pt2S2- — CID 140791491

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate)

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate) (PubChem CID 140791491) has the molecular formula C31H20F4N5Pt2S2- and a molecular weight of 992.82 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate)
• PubChem CID: 140791491
• Molecular Formula: C31H20F4N5Pt2S2-
• Molecular Weight: 992.82 g/mol
• Exact Mass: 992.04
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate)
• SMILES: Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cnc(-c2ccccn2)c(F)c1.[Pt+2].[Pt].[S-]c1ccccn1.[S-]c1ccccn1
• InChI: InChI=1S/C11H6F2N.C10H6F2N2.2C5H5NS.2Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;11-7-5-8(12)10(14-6-7)9-3-1-2-4-13-9;2*7-5-3-1-2-4-6-5;;/h1-4,6-7H;1-6H;2*1-4H,(H,6,7);;/q-1;;;;;+2/p-2
• InChIKey: FDCAYKKGHHXGLK-UHFFFAOYSA-L
• XLogP: 7.22
• TPSA: 64.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.82
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate) (CID 140791491) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate) is Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cnc(-c2ccccn2)c(F)c1.[Pt+2].[Pt].[S-]c1ccccn1.[S-]c1ccccn1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate)?

The InChIKey is FDCAYKKGHHXGLK-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H6F2N.C10H6F2N2.2C5H5NS.2Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;11-7-5-8(12)10(14-6-7)9-3-1-2-4-13-9;2*7-5-3-1-2-4-6-5;;/h1-4,6-7H;1-6H;2*1-4H,(H,6,7);;/q-1;;;;;+2/p-2.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate)?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate) has a molecular weight of 992.82 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate) is sourced from PubChem (CID 140791491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).