copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine

C24H24CuN2O6 — CID 54697497

IUPACcopper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cccnc1.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C10H14N2.2C7H6O3.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;2*1-4,8H,(H,9,10);/q;;;+2/p-2
InChIKeyLFISJEWXMZBMNH-UHFFFAOYSA-L
MW500.01 g/mol
LogP2.76
Rot. Bonds3

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

copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine (PubChem CID 54697497) has the molecular formula C24H24CuN2O6 and a molecular weight of 500.01 g/mol. Its IUPAC name is copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Namecopper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine
PubChem CID54697497
Molecular FormulaC24H24CuN2O6
Molecular Weight500.01 g/mol
Exact Mass499.09
IUPAC Namecopper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cccnc1.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C10H14N2.2C7H6O3.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;2*1-4,8H,(H,9,10);/q;;;+2/p-2
InChIKeyLFISJEWXMZBMNH-UHFFFAOYSA-L
XLogP2.76
TPSA136.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.01
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine?
The IUPAC name of copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine (CID 54697497) is copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine?
The canonical SMILES for copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine is CN1CCCC1c1cccnc1.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Cu+2].
What is the InChIKey of copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine?
The InChIKey is LFISJEWXMZBMNH-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14N2.2C7H6O3.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;2*1-4,8H,(H,9,10);/q;;;+2/p-2.
What are the key properties of copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine?
copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine has a molecular weight of 500.01 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-carboxyphenolate);3-(1-methylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 54697497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).