| CAS Number | 1105191-97-6 |
| Catalog Number | AG01AG2D(AGN-PC-0WCN2U) |
| Chemical Name | 6-Bromo-1,8-naphthyridine-3-carboxylic acid |
| IUPAC Name | 6-bromo-1,8-naphthyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H5BrN2O2/c10-7-2-5-1-6(9(13)14)3-11-8(5)12-4-7/h1-4H,(H,13,14) |
| InChI Key | LZDVTLHSUAKOFU-UHFFFAOYSA-N |
| MDL Number | MFCD16652617 |
| Molecular Formula | C9H5BrN2O2 |
| Molecular Weight | 253.0522 |
| SMILES | OC(C1=CC2=C(N=CC(=C2)Br)N=C1)=O |
| Synonyms | 6-bromo-1,8-naphthyridine-3-carboxylic acid,
1105191-97-6,
SCHEMBL13905439,
ZINC26420138,
AKOS005207815,
MCULE-4515682900,
L-4594,
F1957-0074,
Z1971703328,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.055g/mol |
| Monoisotopic Mass | 251.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number