| CAS Number | 1112982-73-6 |
| Catalog Number | AG01BHLC(AGN-PC-0WORAJ) |
| Chemical Name | 5-bromo-2-chloro-N-(propan-2-yl)pyridin-3-amine |
| IUPAC Name | 5-bromo-2-chloro-N-propan-2-ylpyridin-3-amine |
| InChI | InChI=1S/C8H10BrClN2/c1-5(2)12-7-3-6(9)4-11-8(7)10/h3-5,12H,1-2H3 |
| InChI Key | XITXTFUBWUDYBS-UHFFFAOYSA-N |
| MDL Number | MFCD22628164 |
| Molecular Formula | C8H10BrClN2 |
| Molecular Weight | 249.5354 |
| SMILES | CC(NC1=C(Cl)N=CC(Br)=C1)C |
| Synonyms | 1112982-73-6,
5-bromo-2-chloro-N-(propan-2-yl)pyridin-3-amine,
5-bromo-2-chloro-N-isopropylpyridin-3-amine,
SCHEMBL1621716,
XITXTFUBWUDYBS-UHFFFAOYSA-N,
AKOS026741613,
ZINC116693023,
DA-15487,
FT-0767299,
3-Pyridinamine, 5-bromo-2-chloro-N-(1-methylethyl)-,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.536g/mol |
| Monoisotopic Mass | 247.972g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number