2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C18H11F4N5Pt — CID 140819784

IUPAC2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[n-]c(-c2ccccn2)c1.[Pt+2]
InChIInChI=1S/C9H5F3N3.C9H6FN2.Pt/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;10-7-5-9(12-6-7)8-3-1-2-4-11-8;/h1-5H;1-6H;/q2*-1;+2
InChIKeyJAUARQXBSMXYQA-UHFFFAOYSA-N
MW568.39 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 140819784) has the molecular formula C18H11F4N5Pt and a molecular weight of 568.39 g/mol. Its IUPAC name is 2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID140819784
Molecular FormulaC18H11F4N5Pt
Molecular Weight568.39 g/mol
Exact Mass568.06
IUPAC Name2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[n-]c(-c2ccccn2)c1.[Pt+2]
InChIInChI=1S/C9H5F3N3.C9H6FN2.Pt/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;10-7-5-9(12-6-7)8-3-1-2-4-11-8;/h1-5H;1-6H;/q2*-1;+2
InChIKeyJAUARQXBSMXYQA-UHFFFAOYSA-N
XLogP3.96
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 140819784) is 2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[n-]c(-c2ccccn2)c1.[Pt+2].
What is the InChIKey of 2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is JAUARQXBSMXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N3.C9H6FN2.Pt/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;10-7-5-9(12-6-7)8-3-1-2-4-11-8;/h1-5H;1-6H;/q2*-1;+2.
What are the key properties of 2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 568.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 140819784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).