| CAS Number | 1016691-86-3 |
| Catalog Number | AG019YS5 |
| Chemical Name | 2-(2-carbamoylphenoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 2-(2-carbamoylphenoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H10N2O4/c14-11(16)8-4-1-2-6-10(8)19-12-9(13(17)18)5-3-7-15-12/h1-7H,(H2,14,16)(H,17,18) |
| InChI Key | RLPBZHNPAOMDKT-UHFFFAOYSA-N |
| MDL Number | MFCD09810061 |
| Molecular Formula | C13H10N2O4 |
| Molecular Weight | 258.2295 |
| SMILES | NC(C1=C(OC2=C(C(O)=O)C=CC=N2)C=CC=C1)=O |
| Synonyms | 2-(2-CARBAMOYLPHENOXY)PYRIDINE-3-CARBOXYLIC ACID,
1016691-86-3,
CTK7D2758,
IMED71259464,
ZINC19275504,
2-(2-Carbamoylphenoxy)nicotinic acid,
AKOS000157316,
MCULE-2942512359,
NE23719,
EN300-102749,
Z71178227,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.233g/mol |
| Monoisotopic Mass | 258.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number