praseodymium;tris(pyridine-3-carboxylate)

C18H12N3O6Pr-3 — CID 27884

IUPACpraseodymium;tris(pyridine-3-carboxylate)
SMILESO=C([O-])c1cccnc1.O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Pr]
InChIInChI=1S/3C6H5NO2.Pr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/p-3
InChIKeyZKBOFRMRYPMXOG-UHFFFAOYSA-K
MW507.22 g/mol
LogP-1.66
Rot. Bonds3

About praseodymium;tris(pyridine-3-carboxylate)

praseodymium;tris(pyridine-3-carboxylate) (PubChem CID 27884) has the molecular formula C18H12N3O6Pr-3 and a molecular weight of 507.22 g/mol. Its IUPAC name is praseodymium;tris(pyridine-3-carboxylate).

Molecular Properties

Compound Namepraseodymium;tris(pyridine-3-carboxylate)
PubChem CID27884
Molecular FormulaC18H12N3O6Pr-3
Molecular Weight507.22 g/mol
Exact Mass506.98
IUPAC Namepraseodymium;tris(pyridine-3-carboxylate)
SMILESO=C([O-])c1cccnc1.O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Pr]
InChIInChI=1S/3C6H5NO2.Pr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/p-3
InChIKeyZKBOFRMRYPMXOG-UHFFFAOYSA-K
XLogP-1.66
TPSA159.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.22
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Nicotinic Acid
CID 938
Trigonelline
CID 5570
Methyl Nicotinate
CID 7151
Ethyl Nicotinate
CID 69188
Niceritrol
CID 4476
6,6'-Dithiodinicotinic acid
CID 85040
Butyl nicotinate
CID 81353
Nicotinate
CID 937
Niacin aluminum
CID 16098
Niacin sodium
CID 23687810
2-Fluoronicotinic acid
CID 96089
Chromium nicotinate
CID 9909912

Frequently Asked Questions

What is the IUPAC name of praseodymium;tris(pyridine-3-carboxylate)?
The IUPAC name of praseodymium;tris(pyridine-3-carboxylate) (CID 27884) is praseodymium;tris(pyridine-3-carboxylate).
What is the SMILES notation for praseodymium;tris(pyridine-3-carboxylate)?
The canonical SMILES for praseodymium;tris(pyridine-3-carboxylate) is O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Pr].
What is the InChIKey of praseodymium;tris(pyridine-3-carboxylate)?
The InChIKey is ZKBOFRMRYPMXOG-UHFFFAOYSA-K. The full InChI is InChI=1S/3C6H5NO2.Pr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/p-3.
What are the key properties of praseodymium;tris(pyridine-3-carboxylate)?
praseodymium;tris(pyridine-3-carboxylate) has a molecular weight of 507.22 g/mol, XLogP of -1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for praseodymium;tris(pyridine-3-carboxylate) is sourced from PubChem (CID 27884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).