copper bis(pyridine-2-carboxylate)

C12H8CuN2O4 — CID 14963587

IUPACcopper bis(pyridine-2-carboxylate)
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cu+2]
InChIInChI=1S/2C6H5NO2.Cu/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2
InChIKeyGNWVUSJJFONIKF-UHFFFAOYSA-L
MW307.75 g/mol
LogP-1.11
Rot. Bonds2

About copper bis(pyridine-2-carboxylate)

copper bis(pyridine-2-carboxylate) (PubChem CID 14963587) has the molecular formula C12H8CuN2O4 and a molecular weight of 307.75 g/mol. Its IUPAC name is copper bis(pyridine-2-carboxylate).

Molecular Properties

Compound Namecopper bis(pyridine-2-carboxylate)
PubChem CID14963587
Molecular FormulaC12H8CuN2O4
Molecular Weight307.75 g/mol
Exact Mass306.98
IUPAC Namecopper bis(pyridine-2-carboxylate)
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cu+2]
InChIInChI=1S/2C6H5NO2.Cu/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2
InChIKeyGNWVUSJJFONIKF-UHFFFAOYSA-L
XLogP-1.11
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of copper bis(pyridine-2-carboxylate)?
The IUPAC name of copper bis(pyridine-2-carboxylate) (CID 14963587) is copper bis(pyridine-2-carboxylate).
What is the SMILES notation for copper bis(pyridine-2-carboxylate)?
The canonical SMILES for copper bis(pyridine-2-carboxylate) is O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cu+2].
What is the InChIKey of copper bis(pyridine-2-carboxylate)?
The InChIKey is GNWVUSJJFONIKF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO2.Cu/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2.
What are the key properties of copper bis(pyridine-2-carboxylate)?
copper bis(pyridine-2-carboxylate) has a molecular weight of 307.75 g/mol, XLogP of -1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(pyridine-2-carboxylate) is sourced from PubChem (CID 14963587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).