Pyridacylpyridinium Iodide - CAS 26482-00-8
Catalog: |
BB075726 |
Product Name: |
Pyridacylpyridinium Iodide |
CAS: |
26482-00-8 |
Synonyms: |
1-(2-Pyridacyl)pyridinium Iodide; 1-(2-Pyridylcarbonylmethyl)pyridinium Iodide; 1-[2-(2-Pyridinyl)-2-oxoethyl]pyridinium Iodide; 1-[2-(2-Pyridyl)-2-oxoethyl]pyridinium Iodide; 1-[2-Oxo-2-(2-pyridinyl)ethyl]pyridinium Iodide; 2-(2-Pyridyl)-2-oxoethylpyridinium Iodide; N-[2-(2-Pyridyl)-2-oxoethyl]pyridinium Iodide; N-[2-Oxo-2-(2-pyridyl)ethyl]pyridinium Iodide |
IUPAC Name: | 2-pyridin-1-ium-1-yl-1-pyridin-2-ylethanoneiodide |
Description: | Pyridacylpyridinium Iodide is an intermediate in the synthesis of genetic incorporation of a metal-ion chelating amino acids into proteins as a biophysical probe. |
Molecular Weight: | 326.13 |
Molecular Formula: | C12H11IN2O |
Canonical SMILES: | C1=CC=[N+](C=C1)CC(=O)C2=CC=CC=N2.[I-] |
InChI: | InChI=1S/C12H11N2O.HI/c15-12(11-6-2-3-7-13-11)10-14-8-4-1-5-9-14/h1-9H,10H21H/q+1/p-1 |
InChI Key: | BWAWQRQYQUSQEV-UHFFFAOYSA-M |
Solubility: | Methanol |
Appearance: | Light Brown Solids |
References: | Hvasanov, D., et al. Org. Biomolec. Chem., 11, 4602 (2013); El-Gnidi, B., et al. J. Chem. Chem. En., 6, 673 (2012). |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.99161 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.99161 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 33.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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