copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate

C12H12CuN2O8 — CID 139059501

IUPACcopper;bis(6-hydroxypyridine-2-carboxylate);dihydrate
SMILESO.O.O=C([O-])c1cccc(O)n1.O=C([O-])c1cccc(O)n1.[Cu+2]
InChIInChI=1S/2C6H5NO3.Cu.2H2O/c2*8-5-3-1-2-4(7-5)6(9)10;;;/h2*1-3H,(H,7,8)(H,9,10);;2*1H2/q;;+2;;/p-2
InChIKeyTWUQAGNJMUJXTB-UHFFFAOYSA-L
MW375.78 g/mol
LogP-3.35
Rot. Bonds2

About copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate

copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate (PubChem CID 139059501) has the molecular formula C12H12CuN2O8 and a molecular weight of 375.78 g/mol. Its IUPAC name is copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate.

Molecular Properties

Compound Namecopper;bis(6-hydroxypyridine-2-carboxylate);dihydrate
PubChem CID139059501
Molecular FormulaC12H12CuN2O8
Molecular Weight375.78 g/mol
Exact Mass374.99
IUPAC Namecopper;bis(6-hydroxypyridine-2-carboxylate);dihydrate
SMILESO.O.O=C([O-])c1cccc(O)n1.O=C([O-])c1cccc(O)n1.[Cu+2]
InChIInChI=1S/2C6H5NO3.Cu.2H2O/c2*8-5-3-1-2-4(7-5)6(9)10;;;/h2*1-3H,(H,7,8)(H,9,10);;2*1H2/q;;+2;;/p-2
InChIKeyTWUQAGNJMUJXTB-UHFFFAOYSA-L
XLogP-3.35
TPSA209.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 5-3.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate?
The IUPAC name of copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate (CID 139059501) is copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate.
What is the SMILES notation for copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate?
The canonical SMILES for copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate is O.O.O=C([O-])c1cccc(O)n1.O=C([O-])c1cccc(O)n1.[Cu+2].
What is the InChIKey of copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate?
The InChIKey is TWUQAGNJMUJXTB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO3.Cu.2H2O/c2*8-5-3-1-2-4(7-5)6(9)10;;;/h2*1-3H,(H,7,8)(H,9,10);;2*1H2/q;;+2;;/p-2.
What are the key properties of copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate?
copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate has a molecular weight of 375.78 g/mol, XLogP of -3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(6-hydroxypyridine-2-carboxylate);dihydrate is sourced from PubChem (CID 139059501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).