Chromium nicotinate

C18H12CrN3O6 — CID 9909912

IUPACchromium(3+);tris(pyridine-3-carboxylate)
SMILESC1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].[Cr+3]
InChIInChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
InChIKeyMSPQQAUTCRWLGR-UHFFFAOYSA-K
MW418.30 g/mol
LogP—
Rot. Bonds

About Chromium nicotinate

Chromium nicotinate (PubChem CID 9909912) has the molecular formula C18H12CrN3O6 and a molecular weight of 418.30 g/mol. Its IUPAC name is chromium(3+);tris(pyridine-3-carboxylate).

Molecular Properties

Compound NameChromium nicotinate
PubChem CID9909912
Molecular FormulaC18H12CrN3O6
Molecular Weight418.30 g/mol
Exact Mass418.01
IUPAC Namechromium(3+);tris(pyridine-3-carboxylate)
SMILESC1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].[Cr+3]
InChIInChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
InChIKeyMSPQQAUTCRWLGR-UHFFFAOYSA-K
XLogP—
TPSA159.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms28
Complexity108

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of Chromium nicotinate?
The IUPAC name of Chromium nicotinate (CID 9909912) is chromium(3+);tris(pyridine-3-carboxylate).
What is the SMILES notation for Chromium nicotinate?
The canonical SMILES for Chromium nicotinate is C1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].[Cr+3].
What is the InChIKey of Chromium nicotinate?
The InChIKey is MSPQQAUTCRWLGR-UHFFFAOYSA-K. The full InChI is InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3.
What are the key properties of Chromium nicotinate?
Chromium nicotinate has a molecular weight of 418.30 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Chromium nicotinate is sourced from PubChem (CID 9909912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).