CID 59264345

C6H6AlN2O2 — CID 59264345

IUPAC—
SMILESO=NONc1ccccc1.[Al]
InChIInChI=1S/C6H6N2O2.Al/c9-8-10-7-6-4-2-1-3-5-6;/h1-5,7H;
InChIKeyJFLREAJTOBTQCU-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.33
Rot. Bonds3

About CID 59264345

CID 59264345 (PubChem CID 59264345) has the molecular formula C6H6AlN2O2 and a molecular weight of 165.11 g/mol.

Molecular Properties

Compound NameCID 59264345
PubChem CID59264345
Molecular FormulaC6H6AlN2O2
Molecular Weight165.11 g/mol
Exact Mass165.02
IUPAC Name—
SMILESO=NONc1ccccc1.[Al]
InChIInChI=1S/C6H6N2O2.Al/c9-8-10-7-6-4-2-1-3-5-6;/h1-5,7H;
InChIKeyJFLREAJTOBTQCU-UHFFFAOYSA-N
XLogP1.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59264345?
The IUPAC name of CID 59264345 (CID 59264345) is not available.
What is the SMILES notation for CID 59264345?
The canonical SMILES for CID 59264345 is O=NONc1ccccc1.[Al].
What is the InChIKey of CID 59264345?
The InChIKey is JFLREAJTOBTQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.Al/c9-8-10-7-6-4-2-1-3-5-6;/h1-5,7H;.
What are the key properties of CID 59264345?
CID 59264345 has a molecular weight of 165.11 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59264345 is sourced from PubChem (CID 59264345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).