copper;bis(pyridine-2-carboxylate);dihydrate

C12H12CuN2O6 — CID 139052385

IUPACcopper;bis(pyridine-2-carboxylate);dihydrate
SMILESO.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cu+2]
InChIInChI=1S/2C6H5NO2.Cu.2H2O/c2*8-6(9)5-3-1-2-4-7-5;;;/h2*1-4H,(H,8,9);;2*1H2/q;;+2;;/p-2
InChIKeyOSLIFUNXEMISAB-UHFFFAOYSA-L
MW343.78 g/mol
LogP-2.76
Rot. Bonds2

About copper;bis(pyridine-2-carboxylate);dihydrate

copper;bis(pyridine-2-carboxylate);dihydrate (PubChem CID 139052385) has the molecular formula C12H12CuN2O6 and a molecular weight of 343.78 g/mol. Its IUPAC name is copper;bis(pyridine-2-carboxylate);dihydrate.

Molecular Properties

Compound Namecopper;bis(pyridine-2-carboxylate);dihydrate
PubChem CID139052385
Molecular FormulaC12H12CuN2O6
Molecular Weight343.78 g/mol
Exact Mass343.00
IUPAC Namecopper;bis(pyridine-2-carboxylate);dihydrate
SMILESO.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cu+2]
InChIInChI=1S/2C6H5NO2.Cu.2H2O/c2*8-6(9)5-3-1-2-4-7-5;;;/h2*1-4H,(H,8,9);;2*1H2/q;;+2;;/p-2
InChIKeyOSLIFUNXEMISAB-UHFFFAOYSA-L
XLogP-2.76
TPSA169.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 5-2.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Picolinic acid
CID 1018
Chromium(III) picolinate
CID 151932
Zinc Picolinate
CID 9904746
2-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71559
Chromium tripicolinate
CID 56840998
Chromium picolinate monohydrate
CID 22833491
4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid
CID 2050136
4-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 269643
4-(Piperidin-1-yl)picolinic acid
CID 270402
Picolinate
CID 6920223
Homarine
CID 3620
(~2~H_4_)Pyridine-2-carboxylic acid
CID 71308975

Frequently Asked Questions

What is the IUPAC name of copper;bis(pyridine-2-carboxylate);dihydrate?
The IUPAC name of copper;bis(pyridine-2-carboxylate);dihydrate (CID 139052385) is copper;bis(pyridine-2-carboxylate);dihydrate.
What is the SMILES notation for copper;bis(pyridine-2-carboxylate);dihydrate?
The canonical SMILES for copper;bis(pyridine-2-carboxylate);dihydrate is O.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cu+2].
What is the InChIKey of copper;bis(pyridine-2-carboxylate);dihydrate?
The InChIKey is OSLIFUNXEMISAB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO2.Cu.2H2O/c2*8-6(9)5-3-1-2-4-7-5;;;/h2*1-4H,(H,8,9);;2*1H2/q;;+2;;/p-2.
What are the key properties of copper;bis(pyridine-2-carboxylate);dihydrate?
copper;bis(pyridine-2-carboxylate);dihydrate has a molecular weight of 343.78 g/mol, XLogP of -2.76, 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);dihydrate is sourced from PubChem (CID 139052385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).