methanol;nickel(2+);bis(quinoline-2-carboxylate)

C22H20N2NiO6 — CID 139082320

IUPACmethanol;nickel(2+);bis(quinoline-2-carboxylate)
SMILESCO.CO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Ni+2]
InChIInChI=1S/2C10H7NO2.2CH4O.Ni/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2;/h2*1-6H,(H,12,13);2*2H,1H3;/q;;;;+2/p-2
InChIKeyPTELSCNOYYTHLE-UHFFFAOYSA-L
MW467.10 g/mol
LogP0.41
Rot. Bonds2

About methanol;nickel(2+);bis(quinoline-2-carboxylate)

methanol;nickel(2+);bis(quinoline-2-carboxylate) (PubChem CID 139082320) has the molecular formula C22H20N2NiO6 and a molecular weight of 467.10 g/mol. Its IUPAC name is methanol;nickel(2+);bis(quinoline-2-carboxylate).

Molecular Properties

Compound Namemethanol;nickel(2+);bis(quinoline-2-carboxylate)
PubChem CID139082320
Molecular FormulaC22H20N2NiO6
Molecular Weight467.10 g/mol
Exact Mass466.07
IUPAC Namemethanol;nickel(2+);bis(quinoline-2-carboxylate)
SMILESCO.CO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Ni+2]
InChIInChI=1S/2C10H7NO2.2CH4O.Ni/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2;/h2*1-6H,(H,12,13);2*2H,1H3;/q;;;;+2/p-2
InChIKeyPTELSCNOYYTHLE-UHFFFAOYSA-L
XLogP0.41
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.10
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methanol;nickel(2+);bis(quinoline-2-carboxylate)?
The IUPAC name of methanol;nickel(2+);bis(quinoline-2-carboxylate) (CID 139082320) is methanol;nickel(2+);bis(quinoline-2-carboxylate).
What is the SMILES notation for methanol;nickel(2+);bis(quinoline-2-carboxylate)?
The canonical SMILES for methanol;nickel(2+);bis(quinoline-2-carboxylate) is CO.CO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Ni+2].
What is the InChIKey of methanol;nickel(2+);bis(quinoline-2-carboxylate)?
The InChIKey is PTELSCNOYYTHLE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H7NO2.2CH4O.Ni/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2;/h2*1-6H,(H,12,13);2*2H,1H3;/q;;;;+2/p-2.
What are the key properties of methanol;nickel(2+);bis(quinoline-2-carboxylate)?
methanol;nickel(2+);bis(quinoline-2-carboxylate) has a molecular weight of 467.10 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;nickel(2+);bis(quinoline-2-carboxylate) is sourced from PubChem (CID 139082320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).