| CAS Number | 1279028-26-0 |
| Catalog Number | AG01FSBS(AGN-PC-3H602F) |
| Chemical Name | 5-Bromo-N-(trans-4-hydroxycyclohexyl)-2-pyridinecarboxamide |
| IUPAC Name | 5-bromo-N-(4-hydroxycyclohexyl)pyridine-2-carboxamide |
| InChI | InChI=1S/C12H15BrN2O2/c13-8-1-6-11(14-7-8)12(17)15-9-2-4-10(16)5-3-9/h1,6-7,9-10,16H,2-5H2,(H,15,17) |
| InChI Key | JKYLXVMEMBYUFR-UHFFFAOYSA-N |
| MDL Number | MFCD32671713 |
| Molecular Formula | C12H15BrN2O2 |
| Molecular Weight | 299.1637 |
| SMILES | BrC=1C=CC(=NC1)C(=O)N[C@@H]1CC[C@H](CC1)O |
| Synonyms | SCHEMBL11419797,
SCHEMBL19496628,
2-Pyridinecarboxamide, 5-bromo-N-(trans-4-hydroxycyclohexyl)-,
AKOS012256020,
1279028-26-0,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.03169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.16g/mol |
| Monoisotopic Mass | 298.03169g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number