2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate)

C33H23F3N4Pt2S2 — CID 23547367

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate)

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate) (PubChem CID 23547367) has the molecular formula C33H23F3N4Pt2S2 and a molecular weight of 986.86 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate)
• PubChem CID: 23547367
• Molecular Formula: C33H23F3N4Pt2S2
• Molecular Weight: 986.86 g/mol
• Exact Mass: 986.06
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate)
• SMILES: Cc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt+2].[Pt+2].[S-]c1ccccn1.[S-]c1ccccn1
• InChI: InChI=1S/C12H9FN.C11H6F2N.2C5H5NS.2Pt/c1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*7-5-3-1-2-4-6-5;;/h2-5,7-8H,1H3;1-4,6-7H;2*1-4H,(H,6,7);;/q2*-1;;;2*+2/p-2
• InChIKey: RDQWUZGEKHGLSQ-UHFFFAOYSA-L
• XLogP: 7.79
• TPSA: 51.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.86
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate) (CID 23547367) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate) is Cc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt+2].[Pt+2].[S-]c1ccccn1.[S-]c1ccccn1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate)?

The InChIKey is RDQWUZGEKHGLSQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H9FN.C11H6F2N.2C5H5NS.2Pt/c1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*7-5-3-1-2-4-6-5;;/h2-5,7-8H,1H3;1-4,6-7H;2*1-4H,(H,6,7);;/q2*-1;;;2*+2/p-2.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate)?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate) has a molecular weight of 986.86 g/mol, XLogP of 7.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(platinum(2+));bis(pyridine-2-thiolate) is sourced from PubChem (CID 23547367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).