2-pyrimidin-2-ylphenol;zinc

C10H8N2OZn — CID 161346901

IUPAC2-pyrimidin-2-ylphenol;zinc
SMILESOc1ccccc1-c1ncccn1.[Zn]
InChIInChI=1S/C10H8N2O.Zn/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10;/h1-7,13H;
InChIKeyVNKRANLKLKJTJF-UHFFFAOYSA-N
MW237.58 g/mol
LogP1.85
Rot. Bonds1

About 2-pyrimidin-2-ylphenol;zinc

2-pyrimidin-2-ylphenol;zinc (PubChem CID 161346901) has the molecular formula C10H8N2OZn and a molecular weight of 237.58 g/mol. Its IUPAC name is 2-pyrimidin-2-ylphenol;zinc.

Molecular Properties

Compound Name2-pyrimidin-2-ylphenol;zinc
PubChem CID161346901
Molecular FormulaC10H8N2OZn
Molecular Weight237.58 g/mol
Exact Mass235.99
IUPAC Name2-pyrimidin-2-ylphenol;zinc
SMILESOc1ccccc1-c1ncccn1.[Zn]
InChIInChI=1S/C10H8N2O.Zn/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10;/h1-7,13H;
InChIKeyVNKRANLKLKJTJF-UHFFFAOYSA-N
XLogP1.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.58
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylphenol;zinc?
The IUPAC name of 2-pyrimidin-2-ylphenol;zinc (CID 161346901) is 2-pyrimidin-2-ylphenol;zinc.
What is the SMILES notation for 2-pyrimidin-2-ylphenol;zinc?
The canonical SMILES for 2-pyrimidin-2-ylphenol;zinc is Oc1ccccc1-c1ncccn1.[Zn].
What is the InChIKey of 2-pyrimidin-2-ylphenol;zinc?
The InChIKey is VNKRANLKLKJTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O.Zn/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10;/h1-7,13H;.
What are the key properties of 2-pyrimidin-2-ylphenol;zinc?
2-pyrimidin-2-ylphenol;zinc has a molecular weight of 237.58 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylphenol;zinc is sourced from PubChem (CID 161346901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).