cobalt;propane;pyridine

C8H12CoN- — CID 88509314

IUPACcobalt;propane;pyridine
SMILES[CH2-]CC.[Co].c1ccncc1
InChIInChI=1S/C5H5N.C3H7.Co/c1-2-4-6-5-3-1;1-3-2;/h1-5H;1,3H2,2H3;/q;-1;
InChIKeyWOASXRBQFYAKGE-UHFFFAOYSA-N
MW181.12 g/mol
LogP2.31
Rot. Bonds

About cobalt;propane;pyridine

cobalt;propane;pyridine (PubChem CID 88509314) has the molecular formula C8H12CoN- and a molecular weight of 181.12 g/mol. Its IUPAC name is cobalt;propane;pyridine.

Molecular Properties

Compound Namecobalt;propane;pyridine
PubChem CID88509314
Molecular FormulaC8H12CoN-
Molecular Weight181.12 g/mol
Exact Mass181.03
IUPAC Namecobalt;propane;pyridine
SMILES[CH2-]CC.[Co].c1ccncc1
InChIInChI=1S/C5H5N.C3H7.Co/c1-2-4-6-5-3-1;1-3-2;/h1-5H;1,3H2,2H3;/q;-1;
InChIKeyWOASXRBQFYAKGE-UHFFFAOYSA-N
XLogP2.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cobalt;propane;pyridine?
The IUPAC name of cobalt;propane;pyridine (CID 88509314) is cobalt;propane;pyridine.
What is the SMILES notation for cobalt;propane;pyridine?
The canonical SMILES for cobalt;propane;pyridine is [CH2-]CC.[Co].c1ccncc1.
What is the InChIKey of cobalt;propane;pyridine?
The InChIKey is WOASXRBQFYAKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C3H7.Co/c1-2-4-6-5-3-1;1-3-2;/h1-5H;1,3H2,2H3;/q;-1;.
What are the key properties of cobalt;propane;pyridine?
cobalt;propane;pyridine has a molecular weight of 181.12 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;propane;pyridine is sourced from PubChem (CID 88509314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).