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

C18H12CrN3O6 — CID 56840998

IUPACchromium(3+);tris(pyridine-2-carboxylate)
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cr+3]
InChIInChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
InChIKeyCBDQOLKNTOMMTL-UHFFFAOYSA-K
MW418.31 g/mol
LogP-1.67
Rot. Bonds3

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

chromium(3+);tris(pyridine-2-carboxylate) (PubChem CID 56840998) has the molecular formula C18H12CrN3O6 and a molecular weight of 418.31 g/mol. Its IUPAC name is chromium(3+);tris(pyridine-2-carboxylate).

Molecular Properties

Compound Namechromium(3+);tris(pyridine-2-carboxylate)
PubChem CID56840998
Molecular FormulaC18H12CrN3O6
Molecular Weight418.31 g/mol
Exact Mass418.01
IUPAC Namechromium(3+);tris(pyridine-2-carboxylate)
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cr+3]
InChIInChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
InChIKeyCBDQOLKNTOMMTL-UHFFFAOYSA-K
XLogP-1.67
TPSA159.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of chromium(3+);tris(pyridine-2-carboxylate)?
The IUPAC name of chromium(3+);tris(pyridine-2-carboxylate) (CID 56840998) is chromium(3+);tris(pyridine-2-carboxylate).
What is the SMILES notation for chromium(3+);tris(pyridine-2-carboxylate)?
The canonical SMILES for chromium(3+);tris(pyridine-2-carboxylate) is 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)?
The InChIKey is CBDQOLKNTOMMTL-UHFFFAOYSA-K. The full InChI is InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3.
What are the key properties of chromium(3+);tris(pyridine-2-carboxylate)?
chromium(3+);tris(pyridine-2-carboxylate) has a molecular weight of 418.31 g/mol, XLogP of -1.67, 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) is sourced from PubChem (CID 56840998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).