3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C20H14F3N5OPt — CID 168793709

IUPAC3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCOc1ccc(-c2[c-]cccc2)nn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2]
InChIInChI=1S/C11H9N2O.C9H5F3N3.Pt/c1-14-11-8-7-10(12-13-11)9-5-3-2-4-6-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h2-5,7-8H,1H3;1-5H;/q2*-1;+2
InChIKeyCXUNKDWZWQRKRV-UHFFFAOYSA-N
MW592.44 g/mol
LogP4.07
Rot. Bonds3

About 3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 168793709) has the molecular formula C20H14F3N5OPt and a molecular weight of 592.44 g/mol. Its IUPAC name is 3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID168793709
Molecular FormulaC20H14F3N5OPt
Molecular Weight592.44 g/mol
Exact Mass592.08
IUPAC Name3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCOc1ccc(-c2[c-]cccc2)nn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2]
InChIInChI=1S/C11H9N2O.C9H5F3N3.Pt/c1-14-11-8-7-10(12-13-11)9-5-3-2-4-6-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h2-5,7-8H,1H3;1-5H;/q2*-1;+2
InChIKeyCXUNKDWZWQRKRV-UHFFFAOYSA-N
XLogP4.07
TPSA74.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-Methoxy-4-[(2-pyridin-4-yl)ethyl]-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 24752867
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 24798187
7-Methoxy-4-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 72193179
2-(3-(trifluoromethyl)-4-(6-methoxypyridin-3-yl)-1-phenyl-1H-pyrazol-5-yl)pyridine
CID 42639570
Iridium;4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807359
2-[3,4-Bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807361
2-[4,5-Bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807364
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807370
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807371
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807372
2-(4-Fluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807381
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807382

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 168793709) is 3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is COc1ccc(-c2[c-]cccc2)nn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].
What is the InChIKey of 3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is CXUNKDWZWQRKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2O.C9H5F3N3.Pt/c1-14-11-8-7-10(12-13-11)9-5-3-2-4-6-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h2-5,7-8H,1H3;1-5H;/q2*-1;+2.
What are the key properties of 3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 592.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-phenylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 168793709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).