| CAS Number | 1039972-12-7 |
| Catalog Number | AG01A8N2 |
| Chemical Name | 3-amino-N-(5-bromopyridin-2-yl)benzamide |
| IUPAC Name | 3-amino-N-(5-bromopyridin-2-yl)benzamide |
| InChI | InChI=1S/C12H10BrN3O/c13-9-4-5-11(15-7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,14H2,(H,15,16,17) |
| InChI Key | WMPVJUVITZVYGW-UHFFFAOYSA-N |
| MDL Number | MFCD11184844 |
| Molecular Formula | C12H10BrN3O |
| Molecular Weight | 292.1313 |
| SMILES | NC1=CC(C(NC2=NC=C(Br)C=C2)=O)=CC=C1 |
| Synonyms | 3-amino-N-(5-bromopyridin-2-yl)benzamide,
1039972-12-7,
AC1Q51EV,
SCHEMBL3768771,
WMPVJUVITZVYGW-UHFFFAOYSA-N,
ZINC20373215,
AKOS009233968,
MCULE-1821801282,
NE15067,
3-Amino-N-(5-bromo-pyridin-2-yl)-benzamide,
EN300-62066,
Z1262254370,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.136g/mol |
| Monoisotopic Mass | 291.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number