| CAS Number | 109737-31-7 |
| Catalog Number | AG009TTY(AGN-PC-07AE3R) |
| Chemical Name | 3-Pyridinecarboxylicacid,5-(acetylamino)-,methylester(9CI) |
| IUPAC Name | methyl 5-acetamidopyridine-3-carboxylate |
| InChI | InChI=1S/C9H10N2O3/c1-6(12)11-8-3-7(4-10-5-8)9(13)14-2/h3-5H,1-2H3,(H,11,12) |
| InChI Key | LUGPHYQLAJRAHM-UHFFFAOYSA-N |
| MDL Number | MFCD22392129 |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.1873 |
| SMILES | COC(C1=CC(NC(C)=O)=CN=C1)=O |
| Synonyms | methyl 5-acetamidopyridine-3-carboxylate,
109737-31-7,
Methyl 5-acetamidonicotinate,
ZINC39084050,
AKOS026672432,
MCULE-8964854113,
NE41675,
CS-0081635,
Z1438482578,
3-Pyridinecarboxylicacid,5-(acetylamino)-,methylester(9CI),
3-Pyridinecarboxylic acid, 5-(acetylamino)-, methyl ester (9CI),
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.19g/mol |
| Monoisotopic Mass | 194.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number