copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine

C14H14CuN4O2 — CID 139134027

IUPACcopper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine
SMILESC/N=C(\[O-])c1cccc(/C([O-])=N/C)n1.[Cu+2].c1ccncc1
InChIInChI=1S/C9H11N3O2.C5H5N.Cu/c1-10-8(13)6-4-3-5-7(12-6)9(14)11-2;1-2-4-6-5-3-1;/h3-5H,1-2H3,(H,10,13)(H,11,14);1-5H;/q;;+2/p-2
InChIKeyLVPFMQSHQCJOHH-UHFFFAOYSA-L
MW333.84 g/mol
LogP-0.37
Rot. Bonds2

About copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine

copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine (PubChem CID 139134027) has the molecular formula C14H14CuN4O2 and a molecular weight of 333.84 g/mol. Its IUPAC name is copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine.

Molecular Properties

Compound Namecopper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine
PubChem CID139134027
Molecular FormulaC14H14CuN4O2
Molecular Weight333.84 g/mol
Exact Mass333.04
IUPAC Namecopper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine
SMILESC/N=C(\[O-])c1cccc(/C([O-])=N/C)n1.[Cu+2].c1ccncc1
InChIInChI=1S/C9H11N3O2.C5H5N.Cu/c1-10-8(13)6-4-3-5-7(12-6)9(14)11-2;1-2-4-6-5-3-1;/h3-5H,1-2H3,(H,10,13)(H,11,14);1-5H;/q;;+2/p-2
InChIKeyLVPFMQSHQCJOHH-UHFFFAOYSA-L
XLogP-0.37
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine?
The IUPAC name of copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine (CID 139134027) is copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine.
What is the SMILES notation for copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine?
The canonical SMILES for copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine is C/N=C(\[O-])c1cccc(/C([O-])=N/C)n1.[Cu+2].c1ccncc1.
What is the InChIKey of copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine?
The InChIKey is LVPFMQSHQCJOHH-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11N3O2.C5H5N.Cu/c1-10-8(13)6-4-3-5-7(12-6)9(14)11-2;1-2-4-6-5-3-1;/h3-5H,1-2H3,(H,10,13)(H,11,14);1-5H;/q;;+2/p-2.
What are the key properties of copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine?
copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine has a molecular weight of 333.84 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine is sourced from PubChem (CID 139134027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).