≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC1=CN=C(C=C1N)Br |
|---|---|
| IUPAC Name | 2-bromo-5-methoxypyridin-4-amine |
| InChIKey | ZMXFLZUNHINXLA-UHFFFAOYSA-N |
| INCHI | 1S/C6H7BrN2O/c1-10-5-3-9-6(7)2-4(5)8/h2-3H,1H3,(H2,8,9) |
| Isomeric SMILES | COC1=CN=C(C=C1N)Br |
| Alternate CAS | 1417644-40-6 |
| PubChem CID | 118851337 |
| Molecular Weight | 203.04 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | O-alkylpyrimidines |
| Alternative Parents | Polyhalopyridines Methylpyridines Alkyl aryl ethers 2-halopyridines Heteroaromatic compounds Imidoyl bromides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organobromides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | O-alkylpyrimidine - Polyhalopyridine - 2-halopyridine - Methylpyridine - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Imidoyl halide - Imidoyl bromide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-alkylpyrimidines. These are compounds containing a pyrimidine , which is O-alkylated at one or more ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 203.040 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 201.974 Da |
| Monoisotopic Mass | 201.974 Da |
| Topological Polar Surface Area | 48.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 112.000 |
| 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 |
| 1. Fuhua Jia, Emmanuel Oluwaseyi Fagbohun, Qianyu Wang, Duoyin Zhu, Jianling Zhang, Bin Gong, Yanbin Cui. (2021) Improved thermal conductivity of styrene acrylic resin with carbon nanotubes, graphene and boron nitride hybrid fillers. Carbon Resources Conversion, [PMID:] [10.1016/j.crcon.2021.05.001] |
