bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine)

C27H23N5NiO6 — CID 139144786

IUPACbis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine)
SMILESO=C([O-])c1cccc(O)n1.O=C([O-])c1cccc(O)n1.[Ni+2].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C6H5NO3.3C5H5N.Ni/c2*8-5-3-1-2-4(7-5)6(9)10;3*1-2-4-6-5-3-1;/h2*1-3H,(H,7,8)(H,9,10);3*1-5H;/q;;;;;+2/p-2
InChIKeyDSCBWCUIEZVJJA-UHFFFAOYSA-L
MW572.20 g/mol
LogP1.54
Rot. Bonds2

About bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine)

bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine) (PubChem CID 139144786) has the molecular formula C27H23N5NiO6 and a molecular weight of 572.20 g/mol. Its IUPAC name is bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine).

Molecular Properties

Compound Namebis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine)
PubChem CID139144786
Molecular FormulaC27H23N5NiO6
Molecular Weight572.20 g/mol
Exact Mass571.10
IUPAC Namebis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine)
SMILESO=C([O-])c1cccc(O)n1.O=C([O-])c1cccc(O)n1.[Ni+2].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C6H5NO3.3C5H5N.Ni/c2*8-5-3-1-2-4(7-5)6(9)10;3*1-2-4-6-5-3-1;/h2*1-3H,(H,7,8)(H,9,10);3*1-5H;/q;;;;;+2/p-2
InChIKeyDSCBWCUIEZVJJA-UHFFFAOYSA-L
XLogP1.54
TPSA185.17 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.20
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

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Molybdenum;tetrakis(pyridine-2-carboxylic acid)
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CID 129858701
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[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate
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Frequently Asked Questions

What is the IUPAC name of bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine)?
The IUPAC name of bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine) (CID 139144786) is bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine).
What is the SMILES notation for bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine)?
The canonical SMILES for bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine) is O=C([O-])c1cccc(O)n1.O=C([O-])c1cccc(O)n1.[Ni+2].c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine)?
The InChIKey is DSCBWCUIEZVJJA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO3.3C5H5N.Ni/c2*8-5-3-1-2-4(7-5)6(9)10;3*1-2-4-6-5-3-1;/h2*1-3H,(H,7,8)(H,9,10);3*1-5H;/q;;;;;+2/p-2.
What are the key properties of bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine)?
bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine) has a molecular weight of 572.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-hydroxypyridine-2-carboxylate);nickel(2+);tris(pyridine) is sourced from PubChem (CID 139144786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).