bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate

C20H18N2NiO9 — CID 139058663

IUPACbis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate
SMILESO.O.O.O=C([O-])c1ccc2cccc(O)c2n1.O=C([O-])c1ccc2cccc(O)c2n1.[Ni+2]
InChIInChI=1S/2C10H7NO3.Ni.3H2O/c2*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;;;;/h2*1-5,12H,(H,13,14);;3*1H2/q;;+2;;;/p-2
InChIKeyUSYRNMQKSNTCGB-UHFFFAOYSA-L
MW489.06 g/mol
LogP-1.87
Rot. Bonds2

About bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate

bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate (PubChem CID 139058663) has the molecular formula C20H18N2NiO9 and a molecular weight of 489.06 g/mol. Its IUPAC name is bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate.

Molecular Properties

Compound Namebis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate
PubChem CID139058663
Molecular FormulaC20H18N2NiO9
Molecular Weight489.06 g/mol
Exact Mass488.04
IUPAC Namebis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate
SMILESO.O.O.O=C([O-])c1ccc2cccc(O)c2n1.O=C([O-])c1ccc2cccc(O)c2n1.[Ni+2]
InChIInChI=1S/2C10H7NO3.Ni.3H2O/c2*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;;;;/h2*1-5,12H,(H,13,14);;3*1H2/q;;+2;;;/p-2
InChIKeyUSYRNMQKSNTCGB-UHFFFAOYSA-L
XLogP-1.87
TPSA241.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.06
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

8-Hydroxyquinaldic acid
CID 74079
8-Hydroxy-2-phenylquinoline-4-carboxylic acid
CID 251606
4-[2-(8-Hydroxy-2-quinolinyl)vinyl]benzoic acid
CID 5730126
(8-Hydroxy-2-quinolinyl)(phenyl)methanone
CID 370206
3-[(2-carboxy-1H-indol-3-yl)(3-hydroxyphenyl)methyl]-1H-indole-2-carboxylic acid
CID 22333191
8-Hydroxyquinoline-2-carboxanilide
CID 53299144
8-Hydroxy-1-oxidoquinolin-1-ium-2-carboxylic acid
CID 145959023
Kompleks 50
CID 429277
Lithium 8-hydroxyquinoline-2-carboxylate
CID 23674160
Sodium 8-hydroxyquinolate
CID 23712843
Tris-(8-hydroxyquinolate)-aluminum
CID 129651865
Tris-aluminum-8-hydroxyquinolinate
CID 129652954

Frequently Asked Questions

What is the IUPAC name of bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate?
The IUPAC name of bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate (CID 139058663) is bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate.
What is the SMILES notation for bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate?
The canonical SMILES for bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate is O.O.O.O=C([O-])c1ccc2cccc(O)c2n1.O=C([O-])c1ccc2cccc(O)c2n1.[Ni+2].
What is the InChIKey of bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate?
The InChIKey is USYRNMQKSNTCGB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H7NO3.Ni.3H2O/c2*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;;;;/h2*1-5,12H,(H,13,14);;3*1H2/q;;+2;;;/p-2.
What are the key properties of bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate?
bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate has a molecular weight of 489.06 g/mol, XLogP of -1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-hydroxyquinoline-2-carboxylate);nickel(2+);trihydrate is sourced from PubChem (CID 139058663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).