tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate

C24H20N4O10Zr — CID 139082006

IUPACtetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate
SMILESO.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Zr+4]
InChIInChI=1S/4C6H5NO2.2H2O.Zr/c4*8-6(9)5-3-1-2-4-7-5;;;/h4*1-4H,(H,8,9);2*1H2;/q;;;;;;+4/p-4
InChIKeyHQUAJGGFUAXARX-UHFFFAOYSA-J
MW615.67 g/mol
LogP-3.87
Rot. Bonds4

About tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate

tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate (PubChem CID 139082006) has the molecular formula C24H20N4O10Zr and a molecular weight of 615.67 g/mol. Its IUPAC name is tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate.

Molecular Properties

Compound Nametetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate
PubChem CID139082006
Molecular FormulaC24H20N4O10Zr
Molecular Weight615.67 g/mol
Exact Mass614.02
IUPAC Nametetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate
SMILESO.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Zr+4]
InChIInChI=1S/4C6H5NO2.2H2O.Zr/c4*8-6(9)5-3-1-2-4-7-5;;;/h4*1-4H,(H,8,9);2*1H2;/q;;;;;;+4/p-4
InChIKeyHQUAJGGFUAXARX-UHFFFAOYSA-J
XLogP-3.87
TPSA275.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.67
LogP ≤ 5-3.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

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CID 151932
Chromium tripicolinate
CID 56840998
Chromium picolinate monohydrate
CID 22833491
Ferric picolinate
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tris(picolinato)manganese(II)
CID 163710
(SP-4-1)-Bis(2-pyridinecarboxylato-|EN1,|EO2)copper
CID 24182871
Tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
Vanadium picolinate
CID 129717522
Picolinate nitrogen
CID 129730941
tris(pyridine-2-carboxylato-kappa(2)N,O)chromium
CID 24883444
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 159992137
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(iridium);iridium(3+);2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(2-phenylpyridine);bis(pyridine-2-carboxylic acid)
CID 161077646

Frequently Asked Questions

What is the IUPAC name of tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate?
The IUPAC name of tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate (CID 139082006) is tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate.
What is the SMILES notation for tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate?
The canonical SMILES for tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate is O.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Zr+4].
What is the InChIKey of tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate?
The InChIKey is HQUAJGGFUAXARX-UHFFFAOYSA-J. The full InChI is InChI=1S/4C6H5NO2.2H2O.Zr/c4*8-6(9)5-3-1-2-4-7-5;;;/h4*1-4H,(H,8,9);2*1H2;/q;;;;;;+4/p-4.
What are the key properties of tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate?
tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate has a molecular weight of 615.67 g/mol, XLogP of -3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(pyridine-2-carboxylate);zirconium(4+);dihydrate is sourced from PubChem (CID 139082006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).