| CAS Number | 1251100-41-0 |
| Catalog Number | AG01AI4V(AGN-PC-0WO8XD) |
| Chemical Name | 5-Bromo-2-(dimethylamino)pyridine-3-carboxylic acid |
| IUPAC Name | 5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H9BrN2O2/c1-11(2)7-6(8(12)13)3-5(9)4-10-7/h3-4H,1-2H3,(H,12,13) |
| InChI Key | WSVUADXXEYJFRX-UHFFFAOYSA-N |
| MDL Number | MFCD16159568 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | CN(C1=C(C(O)=O)C=C(Br)C=N1)C |
| Synonyms | 5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid,
1251100-41-0,
5-bromo-2-(dimethylamino)nicotinic acid,
SCHEMBL16913957,
WSVUADXXEYJFRX-UHFFFAOYSA-N,
ZINC50043157,
AKOS011276278,
MCULE-6329282669,
NE36478,
EN300-76748,
Z1259339927,
2-(dimethylamino)-5-fluoronicotinic acid,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number