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Molecule
Chromium(Iii) Picolinate
CAS: 14639-25-9 · C18H12CrN3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14639-25-9
- Molecular Formula
- C18H12CrN3O6
- Molecular Mass
- 418.31 g/mol
Identifiers
CAS Registry Number
14639-25-9
SMILES
O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cr+3]
InChI Key
CBDQOLKNTOMMTL-UHFFFAOYSA-K
InChI
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
Names and Synonyms
- Chromium(Iii) Picolinate Common Name
- Chromium, tris(2-pyridinecarboxylato-κN1,κO2)- Synonym
- Chromium, tris(picolinato)- Synonym
- Chromium, tris(2-pyridinecarboxylato-N1,O2)- Synonym
- 2-Pyridinecarboxylic acid, chromium complex Synonym
- Chromium(III) trispicolinate Synonym
- Chromax Synonym
- Chromium(III) picolinate Synonym
- Chromium picolinate Synonym
- Tris(picolinato)chromium Synonym
- 2-Pyridinecarboxylic acid, chromium(3+) salt Synonym
- Chromium(3+) 2-pyridinecarboxylate Synonym
- 2-Pyridinecarboxylic acid, chromium(3+) salt (3:1) Synonym
- CP 200 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 418.31 g/mol | CAS Common Chemistry |
| 418.30500000000006 g/mol | RDKit | |
| 418.305 g/mol | RDKit | |
| 423.345 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chromium(III)_picolinate | CAS Common Chemistry |
| Canonical SMILES | O=C1[O-][Cr+3]23([O-]C(=O)C=4C=CC=C[N]42)([O-]C(=O)C=5C=CC=C[N]53)[N]=6C=CC=CC16 | CAS Common Chemistry |
| InChI | 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 | CAS Common Chemistry |
| InChI Key | InChIKey=CBDQOLKNTOMMTL-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Chromium(III) picolinate | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 159.06 Ų | RDKit |
| LogP | -1.6671999999999982 | RDKit |
| -1.6672 | RDKit | |
| Molar Refractivity | 85.70250000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 418.013117604 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 418.31 g/mol. Edit any field — others recompute live.
