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

C22H10F14N6Pt — CID 139138252

IUPACbis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
SMILESFC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccn2)n[n-]1.FC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccn2)n[n-]1.[Pt+2]
InChIInChI=1S/2C11H5F7N3.Pt/c2*12-9(13,10(14,15)11(16,17)18)8-5-7(20-21-8)6-3-1-2-4-19-6;/h2*1-5H;/q2*-1;+2
InChIKeyNBXMEUFYMKIWNR-UHFFFAOYSA-N
MW819.41 g/mol
LogP6.78
Rot. Bonds6

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

bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+) (PubChem CID 139138252) has the molecular formula C22H10F14N6Pt and a molecular weight of 819.41 g/mol. Its IUPAC name is bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+).

Molecular Properties

Compound Namebis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
PubChem CID139138252
Molecular FormulaC22H10F14N6Pt
Molecular Weight819.41 g/mol
Exact Mass819.04
IUPAC Namebis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
SMILESFC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccn2)n[n-]1.FC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccn2)n[n-]1.[Pt+2]
InChIInChI=1S/2C11H5F7N3.Pt/c2*12-9(13,10(14,15)11(16,17)18)8-5-7(20-21-8)6-3-1-2-4-19-6;/h2*1-5H;/q2*-1;+2
InChIKeyNBXMEUFYMKIWNR-UHFFFAOYSA-N
XLogP6.78
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.41
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);platinum(2+)
CID 139127932
Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
CID 139131683
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride
CID 139141458
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)
CID 139167154
7,7-Diphenyl-4-(trifluoromethyl)-5,6-diaza-8-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene
CID 139181195
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+);triphenylphosphanium
CID 168345668

Frequently Asked Questions

What is the IUPAC name of bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)?
The IUPAC name of bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+) (CID 139138252) is bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+).
What is the SMILES notation for bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)?
The canonical SMILES for bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+) is FC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccn2)n[n-]1.FC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccn2)n[n-]1.[Pt+2].
What is the InChIKey of bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)?
The InChIKey is NBXMEUFYMKIWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H5F7N3.Pt/c2*12-9(13,10(14,15)11(16,17)18)8-5-7(20-21-8)6-3-1-2-4-19-6;/h2*1-5H;/q2*-1;+2.
What are the key properties of bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)?
bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+) has a molecular weight of 819.41 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+) is sourced from PubChem (CID 139138252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).