copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide)

C26H22CuN4O8 — CID 139055713

IUPACcopper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide)
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cu+2]
InChIInChI=1S/2C7H6O3.2C6H6N2O.Cu/c2*8-6-4-2-1-3-5(6)7(9)10;2*7-6(9)5-2-1-3-8-4-5;/h2*1-4,8H,(H,9,10);2*1-4H,(H2,7,9);/q;;;;+2/p-2
InChIKeySNBCKLFIQZVBFG-UHFFFAOYSA-L
MW582.03 g/mol
LogP-0.13
Rot. Bonds4

About copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide)

copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide) (PubChem CID 139055713) has the molecular formula C26H22CuN4O8 and a molecular weight of 582.03 g/mol. Its IUPAC name is copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide).

Molecular Properties

Compound Namecopper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide)
PubChem CID139055713
Molecular FormulaC26H22CuN4O8
Molecular Weight582.03 g/mol
Exact Mass581.07
IUPAC Namecopper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide)
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cu+2]
InChIInChI=1S/2C7H6O3.2C6H6N2O.Cu/c2*8-6-4-2-1-3-5(6)7(9)10;2*7-6(9)5-2-1-3-8-4-5;/h2*1-4,8H,(H,9,10);2*1-4H,(H2,7,9);/q;;;;+2/p-2
InChIKeySNBCKLFIQZVBFG-UHFFFAOYSA-L
XLogP-0.13
TPSA232.68 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.03
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

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5-(N-(4-Heptylbenzyl)nicotinamido)-2-hydroxybenzoic acid
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Copper, bis(2-hydroxybenzoato-O(sup 1),O(sup 2))(3-(1-methyl-2-pyrrolidinyl)pyridine-N(sup 1))-
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Zinc, bis(2-hydroxybenzoato)(3-(1-methyl-2-pyrrolidinyl)pyridine)-
CID 54697498
(+/-)-Nicotine-d3 salicylate salt
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Di-2-pyridyl ketone salicyloylhydrazone
CID 12127032
N-[4-[(2-hydroxybenzoyl)amino]phenyl]-6-phenyl-5-pyridin-4-ylpyridine-3-carboxamide
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Deep-Heat
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CID 91936866

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide)?
The IUPAC name of copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide) (CID 139055713) is copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide).
What is the SMILES notation for copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide)?
The canonical SMILES for copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide) is NC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cu+2].
What is the InChIKey of copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide)?
The InChIKey is SNBCKLFIQZVBFG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O3.2C6H6N2O.Cu/c2*8-6-4-2-1-3-5(6)7(9)10;2*7-6(9)5-2-1-3-8-4-5;/h2*1-4,8H,(H,9,10);2*1-4H,(H2,7,9);/q;;;;+2/p-2.
What are the key properties of copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide)?
copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide) has a molecular weight of 582.03 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-hydroxybenzoate);bis(pyridine-3-carboxamide) is sourced from PubChem (CID 139055713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).