| CAS Number | 1417618-49-5 |
| Catalog Number | AG01FMDU(AGN-PC-3H5MGF) |
| Chemical Name | 3-bromo-5-methoxypyridin-4-amine |
| IUPAC Name | 3-bromo-5-methoxypyridin-4-amine |
| InChI | InChI=1S/C6H7BrN2O/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3,(H2,8,9) |
| InChI Key | ZZLHBCFKRHYIRX-UHFFFAOYSA-N |
| MDL Number | MFCD28669603 |
| Molecular Formula | C6H7BrN2O |
| Molecular Weight | 203.0366 |
| SMILES | COc1cncc(c1N)Br |
| Synonyms | 1417618-49-5,
4-Pyridinamine, 3-bromo-5-methoxy-,
3-Bromo-5-methoxypyridin-4-amine,
4-Amino-3-bromo-5-methoxypyridine,
AKOS024075076,
ZINC214416242,
F1957-0303,
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| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.039g/mol |
| Monoisotopic Mass | 201.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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