| CAS Number | 851721-92-1 |
| Catalog Number | AG019NXY |
| Chemical Name | 4-(Benzylamino)pyridine-2-carboxylic acid |
| IUPAC Name | 4-(benzylamino)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H12N2O2/c16-13(17)12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15)(H,16,17) |
| InChI Key | VCNIHBWVYVCMRK-UHFFFAOYSA-N |
| MDL Number | MFCD06382850 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | OC(C1=NC=CC(NCC2=CC=CC=C2)=C1)=O |
| Synonyms | 4-(benzylamino)pyridine-2-carboxylic acid,
851721-92-1,
AC1M7TNX,
SCHEMBL6761973,
CTK7J0975,
AC1Q7442,
ZINC3356977,
AKOS008968731,
MCULE-4078276292,
EN300-12114,
ZINC03356977,
CID2474277,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.251g/mol |
| Monoisotopic Mass | 228.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number