dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate

C18H20Cl4Cu2N4O8 — CID 139081158

IUPACdicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Nc1ncc(Cl)cc1Cl.Nc1ncc(Cl)cc1Cl.[Cu+2].[Cu+2]
InChIInChI=1S/2C5H4Cl2N2.4C2H4O2.2Cu/c2*6-3-1-4(7)5(8)9-2-3;4*1-2(3)4;;/h2*1-2H,(H2,8,9);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeyQEDXHHVSEDVGKS-UHFFFAOYSA-J
MW689.28 g/mol
LogP-1.04
Rot. Bonds

About dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate

dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate (PubChem CID 139081158) has the molecular formula C18H20Cl4Cu2N4O8 and a molecular weight of 689.28 g/mol. Its IUPAC name is dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate.

Molecular Properties

Compound Namedicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate
PubChem CID139081158
Molecular FormulaC18H20Cl4Cu2N4O8
Molecular Weight689.28 g/mol
Exact Mass685.86
IUPAC Namedicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Nc1ncc(Cl)cc1Cl.Nc1ncc(Cl)cc1Cl.[Cu+2].[Cu+2]
InChIInChI=1S/2C5H4Cl2N2.4C2H4O2.2Cu/c2*6-3-1-4(7)5(8)9-2-3;4*1-2(3)4;;/h2*1-2H,(H2,8,9);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeyQEDXHHVSEDVGKS-UHFFFAOYSA-J
XLogP-1.04
TPSA238.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

1-(2-amino-5-chloro-3-pyridinyl)-2-methylprop-2-en-1-one
CID 103446437
1-(2-amino-5-chloro-3-pyridinyl)-3-methylbut-2-en-1-one
CID 103455576
1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 71036305
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 81492506
2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid
CID 21288449
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465064
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione
CID 165000552
2-amino-5-chloropyridine-3-thiol
CID 86157651
2-(3,5-dichloro-2-pyridinyl)propan-2-amine
CID 130160714

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate?
The IUPAC name of dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate (CID 139081158) is dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate.
What is the SMILES notation for dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate?
The canonical SMILES for dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Nc1ncc(Cl)cc1Cl.Nc1ncc(Cl)cc1Cl.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate?
The InChIKey is QEDXHHVSEDVGKS-UHFFFAOYSA-J. The full InChI is InChI=1S/2C5H4Cl2N2.4C2H4O2.2Cu/c2*6-3-1-4(7)5(8)9-2-3;4*1-2(3)4;;/h2*1-2H,(H2,8,9);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate?
dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate has a molecular weight of 689.28 g/mol, XLogP of -1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate is sourced from PubChem (CID 139081158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).