platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C18H10F6N6Pt — CID 140606026

IUPACplatinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2]
InChIInChI=1S/2C9H5F3N3.Pt/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h2*1-5H;/q2*-1;+2
InChIKeyVXVJUNJYQGUFCG-UHFFFAOYSA-N
MW619.39 g/mol
LogP4.24
Rot. Bonds2

About platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 140606026) has the molecular formula C18H10F6N6Pt and a molecular weight of 619.39 g/mol. Its IUPAC name is platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

Compound Nameplatinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID140606026
Molecular FormulaC18H10F6N6Pt
Molecular Weight619.39 g/mol
Exact Mass619.05
IUPAC Nameplatinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2]
InChIInChI=1S/2C9H5F3N3.Pt/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h2*1-5H;/q2*-1;+2
InChIKeyVXVJUNJYQGUFCG-UHFFFAOYSA-N
XLogP4.24
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The IUPAC name of platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 140606026) is platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).
What is the SMILES notation for platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The canonical SMILES for platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].
What is the InChIKey of platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is VXVJUNJYQGUFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H5F3N3.Pt/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h2*1-5H;/q2*-1;+2.
What are the key properties of platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 619.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 140606026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).