copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate

C10H14CuN2O4S — CID 158251825

IUPACcopper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate
SMILESCN1CCCC1c1cccnc1.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/C10H14N2.Cu.H2O4S/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;;1-5(2,3)4/h2,4,6,8,10H,3,5,7H2,1H3;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyGGUQUHCOQGMGNM-UHFFFAOYSA-L
MW321.84 g/mol
LogP0.51
Rot. Bonds1

About copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate

copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate (PubChem CID 158251825) has the molecular formula C10H14CuN2O4S and a molecular weight of 321.84 g/mol. Its IUPAC name is copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate.

Molecular Properties

Compound Namecopper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate
PubChem CID158251825
Molecular FormulaC10H14CuN2O4S
Molecular Weight321.84 g/mol
Exact Mass321.00
IUPAC Namecopper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate
SMILESCN1CCCC1c1cccnc1.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/C10H14N2.Cu.H2O4S/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;;1-5(2,3)4/h2,4,6,8,10H,3,5,7H2,1H3;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyGGUQUHCOQGMGNM-UHFFFAOYSA-L
XLogP0.51
TPSA96.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
CID 70556127
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217

Frequently Asked Questions

What is the IUPAC name of copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate?
The IUPAC name of copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate (CID 158251825) is copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate.
What is the SMILES notation for copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate?
The canonical SMILES for copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate is CN1CCCC1c1cccnc1.O=S(=O)([O-])[O-].[Cu+2].
What is the InChIKey of copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate?
The InChIKey is GGUQUHCOQGMGNM-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14N2.Cu.H2O4S/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;;1-5(2,3)4/h2,4,6,8,10H,3,5,7H2,1H3;;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate?
copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate has a molecular weight of 321.84 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate is sourced from PubChem (CID 158251825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).