2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum

C22H16FN2OPt- — CID 58971445

IUPAC2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum
SMILESFc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Oc1ccccc1.[Pt]
InChIInChI=1S/C16H10FN2.C6H6O.Pt/c17-14-10-12(15-5-1-3-7-18-15)9-13(11-14)16-6-2-4-8-19-16;7-6-4-2-1-3-5-6;/h1-8,10-11H;1-5,7H;/q-1;;
InChIKeyTZXNMYNVHPFYMW-UHFFFAOYSA-N
MW538.46 g/mol
LogP5.14
Rot. Bonds2

About 2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum

2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum (PubChem CID 58971445) has the molecular formula C22H16FN2OPt- and a molecular weight of 538.46 g/mol. Its IUPAC name is 2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum.

Molecular Properties

Compound Name2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum
PubChem CID58971445
Molecular FormulaC22H16FN2OPt-
Molecular Weight538.46 g/mol
Exact Mass538.09
IUPAC Name2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum
SMILESFc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Oc1ccccc1.[Pt]
InChIInChI=1S/C16H10FN2.C6H6O.Pt/c17-14-10-12(15-5-1-3-7-18-15)9-13(11-14)16-6-2-4-8-19-16;7-6-4-2-1-3-5-6;/h1-8,10-11H;1-5,7H;/q-1;;
InChIKeyTZXNMYNVHPFYMW-UHFFFAOYSA-N
XLogP5.14
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum?
The IUPAC name of 2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum (CID 58971445) is 2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum.
What is the SMILES notation for 2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum?
The canonical SMILES for 2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum is Fc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Oc1ccccc1.[Pt].
What is the InChIKey of 2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum?
The InChIKey is TZXNMYNVHPFYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN2.C6H6O.Pt/c17-14-10-12(15-5-1-3-7-18-15)9-13(11-14)16-6-2-4-8-19-16;7-6-4-2-1-3-5-6;/h1-8,10-11H;1-5,7H;/q-1;;.
What are the key properties of 2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum?
2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum has a molecular weight of 538.46 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;phenol;platinum is sourced from PubChem (CID 58971445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).