| CAS Number | 1782667-42-8 |
| Catalog Number | AG00ASZF(AGN-PC-0WQY3J) |
| Chemical Name | 5-Bromo-6-methylamino-nicotinonitrile |
| IUPAC Name | 5-bromo-6-(methylamino)pyridine-3-carbonitrile |
| InChI | InChI=1S/C7H6BrN3/c1-10-7-6(8)2-5(3-9)4-11-7/h2,4H,1H3,(H,10,11) |
| InChI Key | SBIYLNIKMYIRGP-UHFFFAOYSA-N |
| MDL Number | MFCD29067457 |
| Molecular Formula | C7H6BrN3 |
| Molecular Weight | 212.0466 |
| SMILES | CNc1ncc(cc1Br)C#N |
| Synonyms | 5-Bromo-6-methylamino-nicotinonitrile,
1782667-42-8,
5-Bromo-6-(methylamino)nicotinonitrile,
AKOS023894227,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.05g/mol |
| Monoisotopic Mass | 210.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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