copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate)

C18H22CuN4O8 — CID 139070969

IUPACcopper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate)
SMILESC[NH2+]C.C[NH2+]C.O=C([O-])c1ccc(C(=O)[O-])nc1.O=C([O-])c1ccc(C(=O)[O-])nc1.[Cu+2]
InChIInChI=1S/2C7H5NO4.2C2H7N.Cu/c2*9-6(10)4-1-2-5(7(11)12)8-3-4;2*1-3-2;/h2*1-3H,(H,9,10)(H,11,12);2*3H,1-2H3;/q;;;;+2/p-2
InChIKeyQWVCRBGYHUFTRZ-UHFFFAOYSA-L
MW485.94 g/mol
LogP-6.77
Rot. Bonds4

About copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate)

copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate) (PubChem CID 139070969) has the molecular formula C18H22CuN4O8 and a molecular weight of 485.94 g/mol. Its IUPAC name is copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate).

Molecular Properties

Compound Namecopper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate)
PubChem CID139070969
Molecular FormulaC18H22CuN4O8
Molecular Weight485.94 g/mol
Exact Mass485.07
IUPAC Namecopper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate)
SMILESC[NH2+]C.C[NH2+]C.O=C([O-])c1ccc(C(=O)[O-])nc1.O=C([O-])c1ccc(C(=O)[O-])nc1.[Cu+2]
InChIInChI=1S/2C7H5NO4.2C2H7N.Cu/c2*9-6(10)4-1-2-5(7(11)12)8-3-4;2*1-3-2;/h2*1-3H,(H,9,10)(H,11,12);2*3H,1-2H3;/q;;;;+2/p-2
InChIKeyQWVCRBGYHUFTRZ-UHFFFAOYSA-L
XLogP-6.77
TPSA219.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.94
LogP ≤ 5-6.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

(SP-4-1)-Bis(2-pyridinecarboxylato-|EN1,|EO2)copper
CID 24182871
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cuprabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594095
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cadmabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594096
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-zincabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594097
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-manganabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594098
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-ferrabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594099
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9-plumbabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594208
N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid
CID 91867201
Dihydrazinium isocinchomeronate monohydrate
CID 129692802
Piperazinediium pyridine-2,3-dicarboxylate
CID 129729317
Nickel(2+);bis(piperazin-1-ium);bis(pyridine-2,5-dicarboxylate);hydrate
CID 139043794
Copper;bis(pyridine-2-carboxylate);dihydrate
CID 139052385

Frequently Asked Questions

What is the IUPAC name of copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate)?
The IUPAC name of copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate) (CID 139070969) is copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate).
What is the SMILES notation for copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate)?
The canonical SMILES for copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate) is C[NH2+]C.C[NH2+]C.O=C([O-])c1ccc(C(=O)[O-])nc1.O=C([O-])c1ccc(C(=O)[O-])nc1.[Cu+2].
What is the InChIKey of copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate)?
The InChIKey is QWVCRBGYHUFTRZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5NO4.2C2H7N.Cu/c2*9-6(10)4-1-2-5(7(11)12)8-3-4;2*1-3-2;/h2*1-3H,(H,9,10)(H,11,12);2*3H,1-2H3;/q;;;;+2/p-2.
What are the key properties of copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate)?
copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate) has a molecular weight of 485.94 g/mol, XLogP of -6.77, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(dimethylazanium);bis(pyridine-2,5-dicarboxylate) is sourced from PubChem (CID 139070969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).