5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum

C25H19N2O3Pt- — CID 21053270

IUPAC5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum
SMILESC=Cc1ccc(Oc2ccc(C(=O)O)nc2)cc1.[Pt].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H11NO3.C11H8N.Pt/c1-2-10-3-5-11(6-4-10)18-12-7-8-13(14(16)17)15-9-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-9H,1H2,(H,16,17);1-6,8-9H;/q;-1;
InChIKeyAPKLBJARPZIYSF-UHFFFAOYSA-N
MW590.52 g/mol
LogP5.76
Rot. Bonds5

About 5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum

5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum (PubChem CID 21053270) has the molecular formula C25H19N2O3Pt- and a molecular weight of 590.52 g/mol. Its IUPAC name is 5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum.

Molecular Properties

Compound Name5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum
PubChem CID21053270
Molecular FormulaC25H19N2O3Pt-
Molecular Weight590.52 g/mol
Exact Mass590.10
IUPAC Name5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum
SMILESC=Cc1ccc(Oc2ccc(C(=O)O)nc2)cc1.[Pt].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H11NO3.C11H8N.Pt/c1-2-10-3-5-11(6-4-10)18-12-7-8-13(14(16)17)15-9-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-9H,1H2,(H,16,17);1-6,8-9H;/q;-1;
InChIKeyAPKLBJARPZIYSF-UHFFFAOYSA-N
XLogP5.76
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.52
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum?
The IUPAC name of 5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum (CID 21053270) is 5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum.
What is the SMILES notation for 5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum?
The canonical SMILES for 5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum is C=Cc1ccc(Oc2ccc(C(=O)O)nc2)cc1.[Pt].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum?
The InChIKey is APKLBJARPZIYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3.C11H8N.Pt/c1-2-10-3-5-11(6-4-10)18-12-7-8-13(14(16)17)15-9-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-9H,1H2,(H,16,17);1-6,8-9H;/q;-1;.
What are the key properties of 5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum?
5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum has a molecular weight of 590.52 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylphenoxy)pyridine-2-carboxylic acid;2-phenylpyridine;platinum is sourced from PubChem (CID 21053270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).