5-chloro-1,4,6,9-tetrahydroxy-2,3,7,8-tetramethyl-5-(1λ5-pyridin-1-ylium-1-yl)-1λ4,4λ4,6λ4,9λ4-tetraaza-5-cobaltaspiro[4.4]nona-1,3,6,8-tetraene-5,5,5-tris(ylium)

• ChemBase ID: 126521
• Molecular Formular: C13H21ClCoN5O4++++
• Molecular Mass: 405.72314
• Monoisotopic Mass: 405.06140186
• SMILES: [N]1(=C(C(=[N](O)[Co+3]21([N](=C(C(=[N]2O)C)C)O)(Cl)[n+]1ccccc1)C)C)O
• Canonical SMILES: CC1=[N](O)[Co+3]2([N](=C1C)O)(Cl)([n+]1ccccc1)[N](=C(C(=[N]2O)C)C)O
• InChI: InChI=1S/C5H5N.2C4H8N2O2.ClH.Co/c1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;;/h1-5H;2*7-8H,1-2H3;1H;/q;;;;+5/p-1/b;2*5-3+,6-4+
• InChIKey: ZBTAFPWTYNGVDG-DVTASQICSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-1,4,6,9-tetrahydroxy-2,3,7,8-tetramethyl-5-(1λ^5-pyridin-1-ylium-1-yl)-1λ^4,4λ^4,6λ^4,9λ^4-tetraaza-5-cobaltaspiro[4.4]nona-1,3,6,8-tetraene-5,5,5-tris(ylium)
• IUPAC Traditional name: 5-chloro-1,4,6,9-tetrahydroxy-2,3,7,8-tetramethyl-5-(1λ^5-pyridin-1-ylium-1-yl)-1λ^4,4λ^4,6λ^4,9λ^4-tetraaza-5-cobaltaspiro[4.4]nona-1,3,6,8-tetraene-5,5,5-tris(ylium)
• Synonyms: Chloro(pyridine)bis(dimethylglyoximato)cobalt(III); Chloro(N,N'-dihydroxy-2,3-butanediimine-κ2N,N')(N-hydroxy-2,3-butanediiminato-κ2N,N')(methanol)cobalt - pyridine (1:1); Chloro(pyridine)cobaloxime

Database IDs

• CAS Number: 23295-32-1
• PubChem CID: 24860975
• Chemspider ID: 17207432
• Wikipedia Title: Chloro(pyridine)cobaloxime

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 131.9348 cm^3
• Polar Surface Area: 161.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: yellow-brown solid

Safety Information

• Risk Statements: R36/37/38
• Safety Statements: S26 S37 S38 S39