| Pubchem Sid | 488196539 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196539 |
| Canonical Smiles | CC1=CC(=CN=C1Br)I |
| IUPAC Name | 2-bromo-5-iodo-3-methylpyridine |
| InChIKey | WJPSANINUBHCFE-UHFFFAOYSA-N |
| INCHI | 1S/C6H5BrIN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3 |
| Isomeric SMILES | CC1=CC(=CN=C1Br)I |
| Molecular Weight | 297.92 |
| Reaxy-Rn | 1635743 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1635743&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polyhalopyridines |
| Alternative Parents | Methylpyridines 2-halopyridines Aryl iodides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - Methylpyridine - 2-halopyridine - Aryl iodide - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2115370 | Certificate of Analysis | Jul 10, 2023 | B151864 |
| J2115402 | Certificate of Analysis | Jul 10, 2023 | B151864 |
| J2115456 | Certificate of Analysis | Jul 10, 2023 | B151864 |
| J2115457 | Certificate of Analysis | Jul 10, 2023 | B151864 |
| C23151007 | Certificate of Analysis | Jun 25, 2021 | B151864 |
| C23151020 | Certificate of Analysis | Jun 25, 2021 | B151864 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 46 °C |
| Molecular Weight | 297.920 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 296.865 Da |
| Monoisotopic Mass | 296.865 Da |
| Topological Polar Surface Area | 12.900 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 99.100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
