copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate

C12H13CuN3O6 — CID 139059840

IUPACcopper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
SMILESO.O.O=C([O-])C(=O)[O-].[Cu+2].c1ccc(Nc2ccccn2)nc1
InChIInChI=1S/C10H9N3.C2H2O4.Cu.2H2O/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;3-1(4)2(5)6;;;/h1-8H,(H,11,12,13);(H,3,4)(H,5,6);;2*1H2/q;;+2;;/p-2
InChIKeyFJBPRJHXMARGEJ-UHFFFAOYSA-L
MW358.80 g/mol
LogP-2.95
Rot. Bonds2

About copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate

copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate (PubChem CID 139059840) has the molecular formula C12H13CuN3O6 and a molecular weight of 358.80 g/mol. Its IUPAC name is copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate.

Molecular Properties

Compound Namecopper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
PubChem CID139059840
Molecular FormulaC12H13CuN3O6
Molecular Weight358.80 g/mol
Exact Mass358.01
IUPAC Namecopper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
SMILESO.O.O=C([O-])C(=O)[O-].[Cu+2].c1ccc(Nc2ccccn2)nc1
InChIInChI=1S/C10H9N3.C2H2O4.Cu.2H2O/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;3-1(4)2(5)6;;;/h1-8H,(H,11,12,13);(H,3,4)(H,5,6);;2*1H2/q;;+2;;/p-2
InChIKeyFJBPRJHXMARGEJ-UHFFFAOYSA-L
XLogP-2.95
TPSA181.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 5-2.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
silver;tetrakis(N-pyridin-2-ylpyridin-2-amine);nitrate
CID 139086290
copper;bis(copper(1+));bis(pyridine-2,5-dicarboxylate);tetrakis(N-pyridin-2-ylpyridin-2-amine)
CID 139198746
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
CID 139082295
bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)
CID 139144132
dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate
CID 139078058
hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)
CID 175185919
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine
CID 174947436
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
4-oxo-4-(pyridin-2-ylamino)but-2-enoate
CID 4624953
bis(3,5-dicarboxybenzoate);methanol;palladium(2+);bis(N-pyridin-2-ylpyrimidin-2-amine)
CID 139145284

Frequently Asked Questions

What is the IUPAC name of copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate?
The IUPAC name of copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate (CID 139059840) is copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate.
What is the SMILES notation for copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate?
The canonical SMILES for copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate is O.O.O=C([O-])C(=O)[O-].[Cu+2].c1ccc(Nc2ccccn2)nc1.
What is the InChIKey of copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate?
The InChIKey is FJBPRJHXMARGEJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9N3.C2H2O4.Cu.2H2O/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;3-1(4)2(5)6;;;/h1-8H,(H,11,12,13);(H,3,4)(H,5,6);;2*1H2/q;;+2;;/p-2.
What are the key properties of copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate?
copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate has a molecular weight of 358.80 g/mol, XLogP of -2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate is sourced from PubChem (CID 139059840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).