chromium(3+) ion tris(pyridine-2-carboxylate)

• ChemBase ID: 123433
• Molecular Formular: C18H12CrN3O6
• Molecular Mass: 418.30048
• Monoisotopic Mass: 418.01311762
• SMILES: C(=O)(c1ncccc1)[O-].C(=O)(c1ncccc1)[O-].C(=O)(c1ncccc1)[O-].[Cr+3]
• Canonical SMILES: [O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[Cr+3]
• InChI: InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
• InChIKey: CBDQOLKNTOMMTL-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion tris(pyridine-2-carboxylate)
• IUPAC Traditional name: chromium(3+) ion tris(pyridine-2-carboxylate)
• Synonyms: chromium(III) picolinate

Database IDs

• CAS Number: 14639-25-9
• PubChem SID: 162217786
• PubChem CID: 151932
• CHEBI ID: 50369
• Chemspider ID: 133913
• Wikipedia Title: Chromium(III)_picolinate

CALCULATED PROPERTIES

• Acid pKa: 0.99192774
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.95603275
• LogD (pH = 7.4): -2.3328586
• Log P: -0.6724588
• Molar Refractivity: 41.6224 cm^3
• Polarizability: 11.703937 Å^3
• Polar Surface Area: 53.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: Cr3+