2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol

C23H21F5NO2Pt- — CID 59546863

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol (PubChem CID 59546863) has the molecular formula C23H21F5NO2Pt- and a molecular weight of 633.49 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol
• PubChem CID: 59546863
• Molecular Formula: C23H21F5NO2Pt-
• Molecular Weight: 633.49 g/mol
• Exact Mass: 633.11
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol
• SMILES: CC(O)C(c1cccc(C(F)(F)F)c1)C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt]
• InChI: InChI=1S/C12H15F3O2.C11H6F2N.Pt/c1-7(16)11(8(2)17)9-4-3-5-10(6-9)12(13,14)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3-8,11,16-17H,1-2H3;1-4,6-7H;/q;-1
• InChIKey: UQTQWNVPJVRCMY-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 53.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.49
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
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 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol (CID 59546863) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol is CC(O)C(c1cccc(C(F)(F)F)c1)C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol?

The InChIKey is UQTQWNVPJVRCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2.C11H6F2N.Pt/c1-7(16)11(8(2)17)9-4-3-5-10(6-9)12(13,14)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3-8,11,16-17H,1-2H3;1-4,6-7H;/q;-1;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol has a molecular weight of 633.49 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum;3-[3-(trifluoromethyl)phenyl]pentane-2,4-diol is sourced from PubChem (CID 59546863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).