copper;bis(4-methylpyridine);diacetate

C16H20CuN2O4 — CID 139057295

IUPACcopper;bis(4-methylpyridine);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1ccncc1.Cc1ccncc1.[Cu+2]
InChIInChI=1S/2C6H7N.2C2H4O2.Cu/c2*1-6-2-4-7-5-3-6;2*1-2(3)4;/h2*2-5H,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyYFMJEKRRCJIVOF-UHFFFAOYSA-L
MW367.89 g/mol
LogP0.29
Rot. Bonds

About copper;bis(4-methylpyridine);diacetate

copper;bis(4-methylpyridine);diacetate (PubChem CID 139057295) has the molecular formula C16H20CuN2O4 and a molecular weight of 367.89 g/mol. Its IUPAC name is copper;bis(4-methylpyridine);diacetate.

Molecular Properties

Compound Namecopper;bis(4-methylpyridine);diacetate
PubChem CID139057295
Molecular FormulaC16H20CuN2O4
Molecular Weight367.89 g/mol
Exact Mass367.07
IUPAC Namecopper;bis(4-methylpyridine);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1ccncc1.Cc1ccncc1.[Cu+2]
InChIInChI=1S/2C6H7N.2C2H4O2.Cu/c2*1-6-2-4-7-5-3-6;2*1-2(3)4;/h2*2-5H,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyYFMJEKRRCJIVOF-UHFFFAOYSA-L
XLogP0.29
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.89
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of copper;bis(4-methylpyridine);diacetate?
The IUPAC name of copper;bis(4-methylpyridine);diacetate (CID 139057295) is copper;bis(4-methylpyridine);diacetate.
What is the SMILES notation for copper;bis(4-methylpyridine);diacetate?
The canonical SMILES for copper;bis(4-methylpyridine);diacetate is CC(=O)[O-].CC(=O)[O-].Cc1ccncc1.Cc1ccncc1.[Cu+2].
What is the InChIKey of copper;bis(4-methylpyridine);diacetate?
The InChIKey is YFMJEKRRCJIVOF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7N.2C2H4O2.Cu/c2*1-6-2-4-7-5-3-6;2*1-2(3)4;/h2*2-5H,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of copper;bis(4-methylpyridine);diacetate?
copper;bis(4-methylpyridine);diacetate has a molecular weight of 367.89 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(4-methylpyridine);diacetate is sourced from PubChem (CID 139057295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).