pentane-2,4-diol;2-phenylpyridine;platinum

C16H20NO2Pt- — CID 20767238

IUPACpentane-2,4-diol;2-phenylpyridine;platinum
SMILESCC(O)CC(C)O.[Pt].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C5H12O2.Pt/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;/h1-6,8-9H;4-7H,3H2,1-2H3;/q-1;;
InChIKeyCNBZWKKHRMNNDD-UHFFFAOYSA-N
MW453.42 g/mol
LogP2.68
Rot. Bonds3

About pentane-2,4-diol;2-phenylpyridine;platinum

pentane-2,4-diol;2-phenylpyridine;platinum (PubChem CID 20767238) has the molecular formula C16H20NO2Pt- and a molecular weight of 453.42 g/mol. Its IUPAC name is pentane-2,4-diol;2-phenylpyridine;platinum.

Molecular Properties

Compound Namepentane-2,4-diol;2-phenylpyridine;platinum
PubChem CID20767238
Molecular FormulaC16H20NO2Pt-
Molecular Weight453.42 g/mol
Exact Mass453.11
IUPAC Namepentane-2,4-diol;2-phenylpyridine;platinum
SMILESCC(O)CC(C)O.[Pt].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C5H12O2.Pt/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;/h1-6,8-9H;4-7H,3H2,1-2H3;/q-1;;
InChIKeyCNBZWKKHRMNNDD-UHFFFAOYSA-N
XLogP2.68
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
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 pentane-2,4-diol;2-phenylpyridine;platinum?
The IUPAC name of pentane-2,4-diol;2-phenylpyridine;platinum (CID 20767238) is pentane-2,4-diol;2-phenylpyridine;platinum.
What is the SMILES notation for pentane-2,4-diol;2-phenylpyridine;platinum?
The canonical SMILES for pentane-2,4-diol;2-phenylpyridine;platinum is CC(O)CC(C)O.[Pt].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of pentane-2,4-diol;2-phenylpyridine;platinum?
The InChIKey is CNBZWKKHRMNNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N.C5H12O2.Pt/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;/h1-6,8-9H;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of pentane-2,4-diol;2-phenylpyridine;platinum?
pentane-2,4-diol;2-phenylpyridine;platinum has a molecular weight of 453.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-2,4-diol;2-phenylpyridine;platinum is sourced from PubChem (CID 20767238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).