beryllium bis(2-pyridin-2-ylphenolate)

C22H16BeN2O2 — CID 100943966

IUPACberyllium bis(2-pyridin-2-ylphenolate)
SMILES[Be+2].[O-]c1ccccc1-c1ccccn1.[O-]c1ccccc1-c1ccccn1
InChIInChI=1S/2C11H9NO.Be/c2*13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h2*1-8,13H;/q;;+2/p-2
InChIKeyHRQXKKFGTIWTCA-UHFFFAOYSA-L
MW349.39 g/mol
LogP3.26
Rot. Bonds2

About beryllium bis(2-pyridin-2-ylphenolate)

beryllium bis(2-pyridin-2-ylphenolate) (PubChem CID 100943966) has the molecular formula C22H16BeN2O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is beryllium bis(2-pyridin-2-ylphenolate).

Molecular Properties

Compound Nameberyllium bis(2-pyridin-2-ylphenolate)
PubChem CID100943966
Molecular FormulaC22H16BeN2O2
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Nameberyllium bis(2-pyridin-2-ylphenolate)
SMILES[Be+2].[O-]c1ccccc1-c1ccccn1.[O-]c1ccccc1-c1ccccn1
InChIInChI=1S/2C11H9NO.Be/c2*13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h2*1-8,13H;/q;;+2/p-2
InChIKeyHRQXKKFGTIWTCA-UHFFFAOYSA-L
XLogP3.26
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze beryllium bis(2-pyridin-2-ylphenolate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of beryllium bis(2-pyridin-2-ylphenolate)?
The IUPAC name of beryllium bis(2-pyridin-2-ylphenolate) (CID 100943966) is beryllium bis(2-pyridin-2-ylphenolate).
What is the SMILES notation for beryllium bis(2-pyridin-2-ylphenolate)?
The canonical SMILES for beryllium bis(2-pyridin-2-ylphenolate) is [Be+2].[O-]c1ccccc1-c1ccccn1.[O-]c1ccccc1-c1ccccn1.
What is the InChIKey of beryllium bis(2-pyridin-2-ylphenolate)?
The InChIKey is HRQXKKFGTIWTCA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H9NO.Be/c2*13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h2*1-8,13H;/q;;+2/p-2.
What are the key properties of beryllium bis(2-pyridin-2-ylphenolate)?
beryllium bis(2-pyridin-2-ylphenolate) has a molecular weight of 349.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium bis(2-pyridin-2-ylphenolate) is sourced from PubChem (CID 100943966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).