| CAS Number | 1547501-48-3 |
| Catalog Number | AG01BHB0 |
| Chemical Name | 3-amino-2-phenylpyridine-4-carboxylic acid |
| IUPAC Name | 3-amino-2-phenylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H10N2O2/c13-10-9(12(15)16)6-7-14-11(10)8-4-2-1-3-5-8/h1-7H,13H2,(H,15,16) |
| InChI Key | ITSXISVVNAUAKB-UHFFFAOYSA-N |
| MDL Number | MFCD24264511 |
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.2200 |
| SMILES | NC1=C(C2=CC=CC=C2)N=CC=C1C(O)=O |
| Synonyms | 3-amino-2-phenylpyridine-4-carboxylic acid,
1547501-48-3,
3-Amino-2-phenylisonicotinic acid,
AKOS020901778,
ZINC126098247,
Z1966571580,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.224g/mol |
| Monoisotopic Mass | 214.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number