4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+)

C24H15F5N2OPt — CID 58637302

About 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+)

4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+) (PubChem CID 58637302) has the molecular formula C24H15F5N2OPt and a molecular weight of 637.47 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+).

Molecular Properties

• Compound Name: 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+)
• PubChem CID: 58637302
• Molecular Formula: C24H15F5N2OPt
• Molecular Weight: 637.47 g/mol
• Exact Mass: 637.08
• IUPAC Name: 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+)
• SMILES: COc1cc(-c2[c-]cc(C)cc2)nc(-c2ccccn2)c1.Fc1[c-]c(F)c(F)c(F)c1F.[Pt+2]
• InChI: InChI=1S/C18H15N2O.C6F5.Pt/c1-13-6-8-14(9-7-13)17-11-15(21-2)12-18(20-17)16-5-3-4-10-19-16;7-2-1-3(8)5(10)6(11)4(2)9;/h3-8,10-12H,1-2H3;;/q2*-1;+2
• InChIKey: ZKZSIJJJUHXSQF-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.47
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+)?

The IUPAC name of 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+) (CID 58637302) is 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+).

What is the SMILES notation for 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+)?

The canonical SMILES for 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+) is COc1cc(-c2[c-]cc(C)cc2)nc(-c2ccccn2)c1.Fc1[c-]c(F)c(F)c(F)c1F.[Pt+2].

What is the InChIKey of 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+)?

The InChIKey is ZKZSIJJJUHXSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2O.C6F5.Pt/c1-13-6-8-14(9-7-13)17-11-15(21-2)12-18(20-17)16-5-3-4-10-19-16;7-2-1-3(8)5(10)6(11)4(2)9;/h3-8,10-12H,1-2H3;;/q2*-1;+2.

What are the key properties of 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+)?

4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+) has a molecular weight of 637.47 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+) is sourced from PubChem (CID 58637302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).