| CAS Number | 157329-90-3 |
| Catalog Number | AG01DVPN |
| Chemical Name | 6-bromo-4-methylpyridine-2-carbonitrile |
| IUPAC Name | 6-bromo-4-methylpyridine-2-carbonitrile |
| InChI | InChI=1S/C7H5BrN2/c1-5-2-6(4-9)10-7(8)3-5/h2-3H,1H3 |
| InChI Key | PRQDXEIIXGFMQI-UHFFFAOYSA-N |
| MDL Number | MFCD14582017 |
| Molecular Formula | C7H5BrN2 |
| Molecular Weight | 197.0320 |
| SMILES | CC1=CC(C#N)=NC(Br)=C1 |
| Synonyms | 6-bromo-4-methylpyridine-2-carbonitrile,
157329-90-3,
SCHEMBL8687439,
6-Bromo-4-methylpicolinonitrile,
PRQDXEIIXGFMQI-UHFFFAOYSA-N,
2-bromo-6-cyano-4-methylpyridine,
2-Pyridinecarbonitrile, 6-bromo-4-methyl-,
6-Bromo-4-methyl-2-pyridinecarbonitrile,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.035g/mol |
| Monoisotopic Mass | 195.964g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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