copper;bis(4-carboxypyridine-2-carboxylate);dihydrate

C14H12CuN2O10 — CID 139064944

IUPACcopper;bis(4-carboxypyridine-2-carboxylate);dihydrate
SMILESO.O.O=C(O)c1ccnc(C(=O)[O-])c1.O=C(O)c1ccnc(C(=O)[O-])c1.[Cu+2]
InChIInChI=1S/2C7H5NO4.Cu.2H2O/c2*9-6(10)4-1-2-8-5(3-4)7(11)12;;;/h2*1-3H,(H,9,10)(H,11,12);;2*1H2/q;;+2;;/p-2
InChIKeyAUORZTBGSVFDED-UHFFFAOYSA-L
MW431.80 g/mol
LogP-3.37
Rot. Bonds4

About copper;bis(4-carboxypyridine-2-carboxylate);dihydrate

copper;bis(4-carboxypyridine-2-carboxylate);dihydrate (PubChem CID 139064944) has the molecular formula C14H12CuN2O10 and a molecular weight of 431.80 g/mol. Its IUPAC name is copper;bis(4-carboxypyridine-2-carboxylate);dihydrate.

Molecular Properties

Compound Namecopper;bis(4-carboxypyridine-2-carboxylate);dihydrate
PubChem CID139064944
Molecular FormulaC14H12CuN2O10
Molecular Weight431.80 g/mol
Exact Mass430.98
IUPAC Namecopper;bis(4-carboxypyridine-2-carboxylate);dihydrate
SMILESO.O.O=C(O)c1ccnc(C(=O)[O-])c1.O=C(O)c1ccnc(C(=O)[O-])c1.[Cu+2]
InChIInChI=1S/2C7H5NO4.Cu.2H2O/c2*9-6(10)4-1-2-8-5(3-4)7(11)12;;;/h2*1-3H,(H,9,10)(H,11,12);;2*1H2/q;;+2;;/p-2
InChIKeyAUORZTBGSVFDED-UHFFFAOYSA-L
XLogP-3.37
TPSA243.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.80
LogP ≤ 5-3.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze copper;bis(4-carboxypyridine-2-carboxylate);dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper;bis(4-carboxypyridine-2-carboxylate);dihydrate?
The IUPAC name of copper;bis(4-carboxypyridine-2-carboxylate);dihydrate (CID 139064944) is copper;bis(4-carboxypyridine-2-carboxylate);dihydrate.
What is the SMILES notation for copper;bis(4-carboxypyridine-2-carboxylate);dihydrate?
The canonical SMILES for copper;bis(4-carboxypyridine-2-carboxylate);dihydrate is O.O.O=C(O)c1ccnc(C(=O)[O-])c1.O=C(O)c1ccnc(C(=O)[O-])c1.[Cu+2].
What is the InChIKey of copper;bis(4-carboxypyridine-2-carboxylate);dihydrate?
The InChIKey is AUORZTBGSVFDED-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5NO4.Cu.2H2O/c2*9-6(10)4-1-2-8-5(3-4)7(11)12;;;/h2*1-3H,(H,9,10)(H,11,12);;2*1H2/q;;+2;;/p-2.
What are the key properties of copper;bis(4-carboxypyridine-2-carboxylate);dihydrate?
copper;bis(4-carboxypyridine-2-carboxylate);dihydrate has a molecular weight of 431.80 g/mol, XLogP of -3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(4-carboxypyridine-2-carboxylate);dihydrate is sourced from PubChem (CID 139064944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).