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

C25H16F3N5O2Pt — CID 164849078

IUPACplatinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[c-]1c(Oc2ccccn2)cccc1Oc1ccccn1
InChIInChI=1S/C16H11N2O2.C9H5F3N3.Pt/c1-3-10-17-15(8-1)19-13-6-5-7-14(12-13)20-16-9-2-4-11-18-16;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-11H;1-5H;/q2*-1;+2
InChIKeyJWGQYMQJKZCTGB-UHFFFAOYSA-N
MW670.51 g/mol
LogP5.98
Rot. Bonds5

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

platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 164849078) has the molecular formula C25H16F3N5O2Pt and a molecular weight of 670.51 g/mol. Its IUPAC name is platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Nameplatinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID164849078
Molecular FormulaC25H16F3N5O2Pt
Molecular Weight670.51 g/mol
Exact Mass670.09
IUPAC Nameplatinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[c-]1c(Oc2ccccn2)cccc1Oc1ccccn1
InChIInChI=1S/C16H11N2O2.C9H5F3N3.Pt/c1-3-10-17-15(8-1)19-13-6-5-7-14(12-13)20-16-9-2-4-11-18-16;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-11H;1-5H;/q2*-1;+2
InChIKeyJWGQYMQJKZCTGB-UHFFFAOYSA-N
XLogP5.98
TPSA84.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.51
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]pyridine
CID 57796546
4-phenoxy-2-[2-(1-phenylpyrazol-3-yl)propan-2-yl]-6-[6-(trifluoromethyl)-3H-pyridin-3-id-2-yl]pyridine;platinum(2+)
CID 57923425
2-(5-Methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]pyridine;platinum(2+)
CID 58831058
3-(2,4-Difluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793695
3-(4-Tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793700
3-Methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793709
3-Methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793717
3-Methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine
CID 168793721
3-(4-Fluorobenzene-6-id-1-yl)-6-methoxypyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793722
Platinum(2+);2-pyrazol-2-id-3-yl-6-[(6-pyrazol-2-id-3-yl-2-pyridinyl)oxy]pyridine
CID 57796282
2-(2,4-Difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)
CID 58709001
2-(5-Methyl-1-pyridin-2-ylpyrazol-3-yl)oxy-6-pyridin-2-ylpyridine;platinum
CID 59661031

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 164849078) is platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[c-]1c(Oc2ccccn2)cccc1Oc1ccccn1.
What is the InChIKey of platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is JWGQYMQJKZCTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2O2.C9H5F3N3.Pt/c1-3-10-17-15(8-1)19-13-6-5-7-14(12-13)20-16-9-2-4-11-18-16;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-11H;1-5H;/q2*-1;+2.
What are the key properties of platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 670.51 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 164849078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).