cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate

C30H32CoN8O10 — CID 139139827

IUPACcobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate
SMILESCC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.CC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co]
InChIInChI=1S/2C15H16N3O2.Co.2NO3/c2*1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13;;2*2-1(3)4/h2*3-10H,11H2,1-2H3;;;/q2*+1;;2*-1
InChIKeyAYPUOMFULHYZPA-UHFFFAOYSA-N
MW723.57 g/mol
LogP4.05
Rot. Bonds4

About cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate

cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate (PubChem CID 139139827) has the molecular formula C30H32CoN8O10 and a molecular weight of 723.57 g/mol. Its IUPAC name is cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate.

Molecular Properties

Compound Namecobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate
PubChem CID139139827
Molecular FormulaC30H32CoN8O10
Molecular Weight723.57 g/mol
Exact Mass723.16
IUPAC Namecobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate
SMILESCC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.CC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co]
InChIInChI=1S/2C15H16N3O2.Co.2NO3/c2*1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13;;2*2-1(3)4/h2*3-10H,11H2,1-2H3;;;/q2*+1;;2*-1
InChIKeyAYPUOMFULHYZPA-UHFFFAOYSA-N
XLogP4.05
TPSA242.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.57
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate
CID 139135581
Cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide
CID 139139828
Cobalt;dichloromethane;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139141105
tetracopper;N-[(S)-methoxy(pyridin-2-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine;N-[(R)-methoxy(pyridin-2-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine;octaazide
CID 168337582
2,6-Bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine
CID 102518757
2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine
CID 102518758
2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine
CID 102518759

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate?
The IUPAC name of cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate (CID 139139827) is cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate.
What is the SMILES notation for cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate?
The canonical SMILES for cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate is CC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.CC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co].
What is the InChIKey of cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate?
The InChIKey is AYPUOMFULHYZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16N3O2.Co.2NO3/c2*1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13;;2*2-1(3)4/h2*3-10H,11H2,1-2H3;;;/q2*+1;;2*-1.
What are the key properties of cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate?
cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate has a molecular weight of 723.57 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate is sourced from PubChem (CID 139139827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).