copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine

C38H41CuN2O12+5 — CID 6419864

IUPACcopper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cccnc1.O=C(O)c1ccccc1O.O=C([OH2+])c1ccccc1O.O=C([OH2+])c1ccccc1O.O=C([OH2+])c1ccccc1O.[Cu+2]
InChIInChI=1S/C10H14N2.4C7H6O3.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;4*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;4*1-4,8H,(H,9,10);/q;;;;;+2/p+3
InChIKeyYLBWSBIVKAPAHA-UHFFFAOYSA-Q
MW781.29 g/mol
LogP3.71
Rot. Bonds5

About copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine

copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine (PubChem CID 6419864) has the molecular formula C38H41CuN2O12+5 and a molecular weight of 781.29 g/mol. Its IUPAC name is copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Namecopper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine
PubChem CID6419864
Molecular FormulaC38H41CuN2O12+5
Molecular Weight781.29 g/mol
Exact Mass780.19
IUPAC Namecopper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cccnc1.O=C(O)c1ccccc1O.O=C([OH2+])c1ccccc1O.O=C([OH2+])c1ccccc1O.O=C([OH2+])c1ccccc1O.[Cu+2]
InChIInChI=1S/C10H14N2.4C7H6O3.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;4*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;4*1-4,8H,(H,9,10);/q;;;;;+2/p+3
InChIKeyYLBWSBIVKAPAHA-UHFFFAOYSA-Q
XLogP3.71
TPSA254.26 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500781.29
LogP ≤ 53.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Nicotine salicylate
CID 20056613
Copper, bis(2-hydroxybenzoato-O(sup 1),O(sup 2))(3-(1-methyl-2-pyrrolidinyl)pyridine-N(sup 1))-
CID 54697497
Zinc, bis(2-hydroxybenzoato)(3-(1-methyl-2-pyrrolidinyl)pyridine)-
CID 54697498
(+/-)-Nicotine-d3 salicylate salt
CID 16219762
2-hydroxybenzoic acid;bis((2-hydroxybenzoyl)oxidanium);manganese;3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 16684723
copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 3246275
2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);manganese;3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 3246276
2-Hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate)
CID 54605162
Copper;2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine;tris(2-oxoniobenzoate)
CID 54609758
Cetylpyridinium salicylate
CID 54725382
copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 16677977
2-hydroxybenzoic acid;bis((2-hydroxybenzoyl)oxidanium);manganese(2+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 16678052

Frequently Asked Questions

What is the IUPAC name of copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine?
The IUPAC name of copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine (CID 6419864) is copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine?
The canonical SMILES for copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine is CN1CCCC1c1cccnc1.O=C(O)c1ccccc1O.O=C([OH2+])c1ccccc1O.O=C([OH2+])c1ccccc1O.O=C([OH2+])c1ccccc1O.[Cu+2].
What is the InChIKey of copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine?
The InChIKey is YLBWSBIVKAPAHA-UHFFFAOYSA-Q. The full InChI is InChI=1S/C10H14N2.4C7H6O3.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;4*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;4*1-4,8H,(H,9,10);/q;;;;;+2/p+3.
What are the key properties of copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine?
copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine has a molecular weight of 781.29 g/mol, XLogP of 3.71, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-(1-methylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 6419864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).