| CAS Number | 1219022-87-3 |
| Catalog Number | AG01APWJ(AGN-PC-0WCNEN) |
| Chemical Name | 4-Bromo-5,6,7,8-tetrahydro-[1,5]naphthyridine-2-carboxylic acid |
| IUPAC Name | 4-bromo-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H9BrN2O2/c10-5-4-7(9(13)14)12-6-2-1-3-11-8(5)6/h4,11H,1-3H2,(H,13,14) |
| InChI Key | IZEUWISKSFZAET-UHFFFAOYSA-N |
| MDL Number | MFCD21091459 |
| Molecular Formula | C9H9BrN2O2 |
| Molecular Weight | 257.0840 |
| SMILES | OC(C1=NC2=C(NCCC2)C(Br)=C1)=O |
| Synonyms | 4-Bromo-5,6,7,8-tetrahydro-[1,5]naphthyridine-2-carboxylic acid,
1219022-87-3,
SBB081650,
ZINC40165659,
AKOS000276565,
MCULE-3187641894,
L-4689,
F1957-0113,
8-bromo-1,2,3,4-tetrahydropyridino[3,2-b]pyridine-6-carboxylic acid,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.087g/mol |
| Monoisotopic Mass | 255.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number