chromium(3+);tris(pyridine-2-carboxylate);hydrate

C18H14CrN3O7 — CID 22833491

IUPACchromium(3+);tris(pyridine-2-carboxylate);hydrate
SMILESO.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cr+3]
InChIInChI=1S/3C6H5NO2.Cr.H2O/c3*8-6(9)5-3-1-2-4-7-5;;/h3*1-4H,(H,8,9);;1H2/q;;;+3;/p-3
InChIKeyXIGVJNARZKLHPA-UHFFFAOYSA-K
MW436.32 g/mol
LogP-2.49
Rot. Bonds3

About chromium(3+);tris(pyridine-2-carboxylate);hydrate

chromium(3+);tris(pyridine-2-carboxylate);hydrate (PubChem CID 22833491) has the molecular formula C18H14CrN3O7 and a molecular weight of 436.32 g/mol. Its IUPAC name is chromium(3+);tris(pyridine-2-carboxylate);hydrate.

Molecular Properties

Compound Namechromium(3+);tris(pyridine-2-carboxylate);hydrate
PubChem CID22833491
Molecular FormulaC18H14CrN3O7
Molecular Weight436.32 g/mol
Exact Mass436.02
IUPAC Namechromium(3+);tris(pyridine-2-carboxylate);hydrate
SMILESO.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cr+3]
InChIInChI=1S/3C6H5NO2.Cr.H2O/c3*8-6(9)5-3-1-2-4-7-5;;/h3*1-4H,(H,8,9);;1H2/q;;;+3;/p-3
InChIKeyXIGVJNARZKLHPA-UHFFFAOYSA-K
XLogP-2.49
TPSA190.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 5-2.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Picolinic acid
CID 1018
Chromium(III) picolinate
CID 151932
Zinc Picolinate
CID 9904746
2-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71559
Chromium tripicolinate
CID 56840998
Pyridine-2-carboxylic acid 1-oxide
CID 69986
4-Iodopyridine-2-carboxylic acid
CID 818278
Picolinate
CID 6920223
4-(Piperidin-1-yl)picolinic acid
CID 270402
3-Fluoropyridine-2-carboxylic acid
CID 2762786
5-iodopyridine-2-carboxylic Acid
CID 9807973
Homarine hydrochloride
CID 13645641

Frequently Asked Questions

What is the IUPAC name of chromium(3+);tris(pyridine-2-carboxylate);hydrate?
The IUPAC name of chromium(3+);tris(pyridine-2-carboxylate);hydrate (CID 22833491) is chromium(3+);tris(pyridine-2-carboxylate);hydrate.
What is the SMILES notation for chromium(3+);tris(pyridine-2-carboxylate);hydrate?
The canonical SMILES for chromium(3+);tris(pyridine-2-carboxylate);hydrate is O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cr+3].
What is the InChIKey of chromium(3+);tris(pyridine-2-carboxylate);hydrate?
The InChIKey is XIGVJNARZKLHPA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C6H5NO2.Cr.H2O/c3*8-6(9)5-3-1-2-4-7-5;;/h3*1-4H,(H,8,9);;1H2/q;;;+3;/p-3.
What are the key properties of chromium(3+);tris(pyridine-2-carboxylate);hydrate?
chromium(3+);tris(pyridine-2-carboxylate);hydrate has a molecular weight of 436.32 g/mol, XLogP of -2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris(pyridine-2-carboxylate);hydrate is sourced from PubChem (CID 22833491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).