cobalt;1-ethylindazole

C9H9CoN2- — CID 58657391

IUPACcobalt;1-ethylindazole
SMILES[CH2-]Cn1ncc2ccccc21.[Co]
InChIInChI=1S/C9H9N2.Co/c1-2-11-9-6-4-3-5-8(9)7-10-11;/h3-7H,1-2H2;/q-1;
InChIKeyXKFVNCRMYUCSBB-UHFFFAOYSA-N
MW204.12 g/mol
LogP1.87
Rot. Bonds1

About cobalt;1-ethylindazole

cobalt;1-ethylindazole (PubChem CID 58657391) has the molecular formula C9H9CoN2- and a molecular weight of 204.12 g/mol. Its IUPAC name is cobalt;1-ethylindazole.

Molecular Properties

Compound Namecobalt;1-ethylindazole
PubChem CID58657391
Molecular FormulaC9H9CoN2-
Molecular Weight204.12 g/mol
Exact Mass204.01
IUPAC Namecobalt;1-ethylindazole
SMILES[CH2-]Cn1ncc2ccccc21.[Co]
InChIInChI=1S/C9H9N2.Co/c1-2-11-9-6-4-3-5-8(9)7-10-11;/h3-7H,1-2H2;/q-1;
InChIKeyXKFVNCRMYUCSBB-UHFFFAOYSA-N
XLogP1.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cobalt;1-ethylindazole?
The IUPAC name of cobalt;1-ethylindazole (CID 58657391) is cobalt;1-ethylindazole.
What is the SMILES notation for cobalt;1-ethylindazole?
The canonical SMILES for cobalt;1-ethylindazole is [CH2-]Cn1ncc2ccccc21.[Co].
What is the InChIKey of cobalt;1-ethylindazole?
The InChIKey is XKFVNCRMYUCSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2.Co/c1-2-11-9-6-4-3-5-8(9)7-10-11;/h3-7H,1-2H2;/q-1;.
What are the key properties of cobalt;1-ethylindazole?
cobalt;1-ethylindazole has a molecular weight of 204.12 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;1-ethylindazole is sourced from PubChem (CID 58657391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).