copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate

C18H15CuN3O7 — CID 139200537

IUPACcopper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate
SMILESO.O=C([O-])c1ccc(C(=O)[O-])nc1.OC(O)(c1ccccn1)c1ccccn1.[Cu+2]
InChIInChI=1S/C11H10N2O2.C7H5NO4.Cu.H2O/c14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;9-6(10)4-1-2-5(7(11)12)8-3-4;;/h1-8,14-15H;1-3H,(H,9,10)(H,11,12);;1H2/q;;+2;/p-2
InChIKeyLKSVVFJWWWCUTR-UHFFFAOYSA-L
MW448.88 g/mol
LogP-2.36
Rot. Bonds4

About copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate

copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate (PubChem CID 139200537) has the molecular formula C18H15CuN3O7 and a molecular weight of 448.88 g/mol. Its IUPAC name is copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate.

Molecular Properties

Compound Namecopper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate
PubChem CID139200537
Molecular FormulaC18H15CuN3O7
Molecular Weight448.88 g/mol
Exact Mass448.02
IUPAC Namecopper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate
SMILESO.O=C([O-])c1ccc(C(=O)[O-])nc1.OC(O)(c1ccccn1)c1ccccn1.[Cu+2]
InChIInChI=1S/C11H10N2O2.C7H5NO4.Cu.H2O/c14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;9-6(10)4-1-2-5(7(11)12)8-3-4;;/h1-8,14-15H;1-3H,(H,9,10)(H,11,12);;1H2/q;;+2;/p-2
InChIKeyLKSVVFJWWWCUTR-UHFFFAOYSA-L
XLogP-2.36
TPSA190.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.88
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(5-Carboxy-2-pyridinyl)pyridine-2-carboxylic acid
CID 60018799
3-pyridin-3-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463662
3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463663
Terpyridine-5-carboxylic acid
CID 68543188
5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-6-methylpyridine-3-carboxylic acid
CID 156476694
2,3'-Bipyridine-2',3-dicarboxylic acid
CID 23423223
2,3'-Bipyridine-2',3-dicarboxylic acid monohydrate
CID 132278283
Nickel(2+);bis(piperazin-1-ium);bis(pyridine-2,5-dicarboxylate);hydrate
CID 139043794
Bis(6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylate);lead(2+)
CID 139060823
Bis(mu-hydroxido-kappa^2^O:O)bis[bis(5-carboxypyridine-2-carboxylato-kappa^2^N,O^2^)iron(III)] dihydrate
CID 139086153
Bis(pyridine-2-carboxylato-5-carboxylic acid-N,O)-bis(N,N-dimethylformamide-O)-zinc(II)
CID 139146694
Carbon monoxide;dipyridin-2-ylmethanediol;methanol;nickel(2+);pyridine-2,5-dicarboxylate
CID 139197177

Frequently Asked Questions

What is the IUPAC name of copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate?
The IUPAC name of copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate (CID 139200537) is copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate.
What is the SMILES notation for copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate?
The canonical SMILES for copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate is O.O=C([O-])c1ccc(C(=O)[O-])nc1.OC(O)(c1ccccn1)c1ccccn1.[Cu+2].
What is the InChIKey of copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate?
The InChIKey is LKSVVFJWWWCUTR-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H10N2O2.C7H5NO4.Cu.H2O/c14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;9-6(10)4-1-2-5(7(11)12)8-3-4;;/h1-8,14-15H;1-3H,(H,9,10)(H,11,12);;1H2/q;;+2;/p-2.
What are the key properties of copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate?
copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate has a molecular weight of 448.88 g/mol, XLogP of -2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;dipyridin-2-ylmethanediol;pyridine-2,5-dicarboxylate;hydrate is sourced from PubChem (CID 139200537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).