cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid

C11H7CoNO4 — CID 175315768

IUPACcobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid
SMILESO=C(O)C(=O)Oc1nccc2ccccc12.[Co]
InChIInChI=1S/C11H7NO4.Co/c13-10(14)11(15)16-9-8-4-2-1-3-7(8)5-6-12-9;/h1-6H,(H,13,14);
InChIKeyJCLPWZOGLBQEFS-UHFFFAOYSA-N
MW276.11 g/mol
LogP1.22
Rot. Bonds1

About cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid

cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid (PubChem CID 175315768) has the molecular formula C11H7CoNO4 and a molecular weight of 276.11 g/mol. Its IUPAC name is cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid.

Molecular Properties

Compound Namecobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid
PubChem CID175315768
Molecular FormulaC11H7CoNO4
Molecular Weight276.11 g/mol
Exact Mass275.97
IUPAC Namecobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid
SMILESO=C(O)C(=O)Oc1nccc2ccccc12.[Co]
InChIInChI=1S/C11H7NO4.Co/c13-10(14)11(15)16-9-8-4-2-1-3-7(8)5-6-12-9;/h1-6H,(H,13,14);
InChIKeyJCLPWZOGLBQEFS-UHFFFAOYSA-N
XLogP1.22
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid?
The IUPAC name of cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid (CID 175315768) is cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid.
What is the SMILES notation for cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid?
The canonical SMILES for cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid is O=C(O)C(=O)Oc1nccc2ccccc12.[Co].
What is the InChIKey of cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid?
The InChIKey is JCLPWZOGLBQEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4.Co/c13-10(14)11(15)16-9-8-4-2-1-3-7(8)5-6-12-9;/h1-6H,(H,13,14);.
What are the key properties of cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid?
cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid has a molecular weight of 276.11 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid is sourced from PubChem (CID 175315768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).