| CAS Number | 6972-36-7 |
| Catalog Number | AG005IRY(AGN-PC-0JOJYF) |
| Chemical Name | 5-Amino-2-chloro-4,6-dimethylpyridine-3-carbonitrile |
| IUPAC Name | 5-amino-2-chloro-4,6-dimethylpyridine-3-carbonitrile |
| InChI | InChI=1S/C8H8ClN3/c1-4-6(3-10)8(9)12-5(2)7(4)11/h11H2,1-2H3 |
| InChI Key | RPRGFOOFJMWOOI-UHFFFAOYSA-N |
| MDL Number | MFCD20697313 |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.6222 |
| NSC Number | 61974 |
| SMILES | CC1=C(N)C(C)=C(C#N)C(Cl)=N1 |
| Synonyms | 6972-36-7,
5-amino-2-chloro-4,6-dimethylpyridine-3-carbonitrile,
5-amino-2-chloro-4,6-dimethylnicotinonitrile,
5-amino-2-chloro-4,6-dimethyl-nicotinonitrile,
NSC61974,
AC1L6KA8,
AC1Q4R6I,
CTK5D1074,
ZINC1690940,
NSC-61974,
AKOS025312715,
F1957-0203,
AR-1G7079,
CID247446,
89599-43-9,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.623g/mol |
| Monoisotopic Mass | 181.041g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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