dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate

C20H18Cl2Cu2N8O8 — CID 139058632

IUPACdicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate
SMILESCC#N.CC#N.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc[n-]n2)nc1.c1ccc(-c2ccn[n-]2)nc1
InChIInChI=1S/2C8H6N3.2C2H3N.2ClHO4.2Cu/c2*1-2-5-9-7(3-1)8-4-6-10-11-8;2*1-2-3;2*2-1(3,4)5;;/h2*1-6H;2*1H3;2*(H,2,3,4,5);;/q2*-1;;;;;2*+2/p-2
InChIKeySNMORQLZLWVSMA-UHFFFAOYSA-L
MW696.41 g/mol
LogP-6.26
Rot. Bonds2

About dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate

dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate (PubChem CID 139058632) has the molecular formula C20H18Cl2Cu2N8O8 and a molecular weight of 696.41 g/mol. Its IUPAC name is dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate.

Molecular Properties

Compound Namedicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate
PubChem CID139058632
Molecular FormulaC20H18Cl2Cu2N8O8
Molecular Weight696.41 g/mol
Exact Mass693.92
IUPAC Namedicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate
SMILESCC#N.CC#N.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc[n-]n2)nc1.c1ccc(-c2ccn[n-]2)nc1
InChIInChI=1S/2C8H6N3.2C2H3N.2ClHO4.2Cu/c2*1-2-5-9-7(3-1)8-4-6-10-11-8;2*1-2-3;2*2-1(3,4)5;;/h2*1-6H;2*1H3;2*(H,2,3,4,5);;/q2*-1;;;;;2*+2/p-2
InChIKeySNMORQLZLWVSMA-UHFFFAOYSA-L
XLogP-6.26
TPSA311.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.41
LogP ≤ 5-6.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
Tris(3-pyridin-2-ylpyrazol-1-yl)borane
CID 70902506
2-(3-Tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)
CID 139138251
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57525990
Iridium;1-phenylpyrazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57525998
Bis(3,5-dimethylpyrazol-1-ide);bis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772371
Bis(3,5-dimethylpyrazol-1-ide);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772374
Bis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772377

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate?
The IUPAC name of dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate (CID 139058632) is dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate.
What is the SMILES notation for dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate?
The canonical SMILES for dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate is CC#N.CC#N.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc[n-]n2)nc1.c1ccc(-c2ccn[n-]2)nc1.
What is the InChIKey of dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate?
The InChIKey is SNMORQLZLWVSMA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H6N3.2C2H3N.2ClHO4.2Cu/c2*1-2-5-9-7(3-1)8-4-6-10-11-8;2*1-2-3;2*2-1(3,4)5;;/h2*1-6H;2*1H3;2*(H,2,3,4,5);;/q2*-1;;;;;2*+2/p-2.
What are the key properties of dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate?
dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate has a molecular weight of 696.41 g/mol, XLogP of -6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(acetonitrile);2-pyrazol-1-id-3-ylpyridine;2-pyrazol-2-id-3-ylpyridine;diperchlorate is sourced from PubChem (CID 139058632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).