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Zinc Picolinate
CAS: 17949-65-4 | C12H8N2O4Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17949-65-4
Molecular Formula:
C12H8N2O4Zn
Molecular Mass:
309.60 g/mol
Names and Synonyms:
Zinc Picolinate
Zinc, bis(2-pyridinecarboxylato-κN1,κO2)-, (T-4)-
Zinc, bis(2-pyridinecarboxylato-N1,O2)-, (T-4)-
Zinc, bis(picolinato)-
Picolinic acid, zinc complex
2-Pyridinecarboxylic acid, zinc complex
(T-4)-Bis(2-pyridinecarboxylato-κN1,κO2)zinc
Zinc picolinate
Bis(picolinato)zinc
Identifiers:
SMILES:
O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Zn+2]
InChI:
InChI=1S/2C6H5NO2.Zn/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2
Key Properties
Melting Point
222-225 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 309.60 g/mol | CAS Common Chemistry |
| 309.596 g/mol | RDKit | |
| 307.977548936 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zinc_picolinate | CAS Common Chemistry |
| Canonical SMILES | O=C1[O-][Zn+2]2([O-]C(=O)C=3C=CC=C[N]32)[N]=4C=CC=CC14 | CAS Common Chemistry |
| InChI | InChI=1S/2C6H5NO2.Zn/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=NHVUUBRKFZWXRN-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 222-225 °C (decomp) | CAS Common Chemistry |
| Name | Zinc picolinate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 106.04 Ų | RDKit |
| LogP | -1.1123000000000003 | RDKit |
| Molar Refractivity | 57.13500000000002 | RDKit |
