| CAS Number | 54904-02-8 |
| Catalog Number | AG01A2E1(AGN-PC-0N7HRX) |
| Chemical Name | 3-bromo-N-phenylpyridin-2-amine |
| IUPAC Name | 3-bromo-N-phenylpyridin-2-amine |
| InChI | InChI=1S/C11H9BrN2/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-8H,(H,13,14) |
| InChI Key | ZBEQUCPZBWLXOI-UHFFFAOYSA-N |
| MDL Number | MFCD12828178 |
| Molecular Formula | C11H9BrN2 |
| Molecular Weight | 249.1066 |
| SMILES | BrC1=C(NC2=CC=CC=C2)N=CC=C1 |
| Synonyms | 3-bromo-N-phenylpyridin-2-amine,
54904-02-8,
2-phenylamino-3-bromopyridine,
3-bromo-N-phenyl-2-pyridinamine,
SCHEMBL2279335,
N-(3-Bromo-2-pyridyl)aniline,
ZBEQUCPZBWLXOI-UHFFFAOYSA-N,
ZINC39078850,
AKOS010632630,
MCULE-2508037148,
NE24846,
FT-0719448,
Z1501472313,
3-bromo-N-phenyl-pyridin-2-amine,
2-Pyridinamine, 3-bromo-N-phenyl-,
CID10610607,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.111g/mol |
| Monoisotopic Mass | 247.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number