2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

C22H16FN2OPt- — CID 58636195

IUPAC2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILESOc1ccccc1F.[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H11N2.C6H5FO.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;7-5-3-1-2-4-6(5)8;/h1-11H;1-4,8H;/q-1;;
InChIKeyJXGJKGSFFJSFRW-UHFFFAOYSA-N
MW538.46 g/mol
LogP5.14
Rot. Bonds2

About 2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (PubChem CID 58636195) has the molecular formula C22H16FN2OPt- and a molecular weight of 538.46 g/mol. Its IUPAC name is 2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.

Molecular Properties

Compound Name2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
PubChem CID58636195
Molecular FormulaC22H16FN2OPt-
Molecular Weight538.46 g/mol
Exact Mass538.09
IUPAC Name2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILESOc1ccccc1F.[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H11N2.C6H5FO.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;7-5-3-1-2-4-6(5)8;/h1-11H;1-4,8H;/q-1;;
InChIKeyJXGJKGSFFJSFRW-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-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The IUPAC name of 2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (CID 58636195) is 2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.
What is the SMILES notation for 2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The canonical SMILES for 2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is Oc1ccccc1F.[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.
What is the InChIKey of 2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The InChIKey is JXGJKGSFFJSFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.C6H5FO.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;7-5-3-1-2-4-6(5)8;/h1-11H;1-4,8H;/q-1;;.
What are the key properties of 2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
2-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine 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-fluorophenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is sourced from PubChem (CID 58636195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).