dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)

C48H36Cu2N4O12 — CID 139066999

IUPACdicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)
SMILESO=C(O)c1ccccc1O.O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.4C7H6O3.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-8H;4*1-4,8H,(H,9,10);;/q;;;;;;2*+2/p-4
InChIKeyMMLUFNYCZHPMEV-UHFFFAOYSA-J
MW987.92 g/mol
LogP4.71
Rot. Bonds6

About dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)

dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine) (PubChem CID 139066999) has the molecular formula C48H36Cu2N4O12 and a molecular weight of 987.92 g/mol. Its IUPAC name is dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namedicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)
PubChem CID139066999
Molecular FormulaC48H36Cu2N4O12
Molecular Weight987.92 g/mol
Exact Mass986.09
IUPAC Namedicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)
SMILESO=C(O)c1ccccc1O.O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.4C7H6O3.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-8H;4*1-4,8H,(H,9,10);;/q;;;;;;2*+2/p-4
InChIKeyMMLUFNYCZHPMEV-UHFFFAOYSA-J
XLogP4.71
TPSA293.00 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.92
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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Related Compounds

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
Copper; 2-hydroxybenzoate; 2-hydroxybenzoic acid; 3-(1-methylpyrrolidin-2-yl)pyridine
CID 6419864
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
2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);manganese;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 16678055
Bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine
CID 139040813
Bis[(mu-O,O'-salicylato)(1,10-phenanthroline)copper(II)], acetylsalicylic acid solvate, diaqua solvate
CID 139056948
(2,2'-Bipyridyl-kappa^2^N,N')bis(salicylato-kappa^2^O,O')zinc(II)
CID 139059392

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)?
The IUPAC name of dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine) (CID 139066999) is dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine) is O=C(O)c1ccccc1O.O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)?
The InChIKey is MMLUFNYCZHPMEV-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.4C7H6O3.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-8H;4*1-4,8H,(H,9,10);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)?
dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine) has a molecular weight of 987.92 g/mol, XLogP of 4.71, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139066999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).