| CAS Number | 2177263-53-3 |
| Catalog Number | AG01FLFD(AGN-PC-3H4B5B) |
| Chemical Name | 4-amino-6-bromo-2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| IUPAC Name | 4-amino-6-bromo-2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| InChI | InChI=1S/C8H5BrClN5/c1-15-5(9)3(2-11)4-6(12)13-8(10)14-7(4)15/h1H3,(H2,12,13,14) |
| InChI Key | QUFZUYWHTZQBJQ-UHFFFAOYSA-N |
| MDL Number | MFCD31652566 |
| Molecular Formula | C8H5BrClN5 |
| Molecular Weight | 286.5158 |
| SMILES | N#Cc1c(Br)n(c2c1c(N)nc(n2)Cl)C |
| Synonyms | 4-amino-6-bromo-2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile,
CS-0080121,
2177263-53-3,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.94169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.51g/mol |
| Monoisotopic Mass | 284.94169g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 80.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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