| CAS Number | 138060-94-3 |
| Catalog Number | AG01ELKU(AGN-PC-0LWHDS) |
| Chemical Name | 2-Amino-5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 2-amino-5-cyano-6-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H5N3O3/c8-2-3-1-4(7(12)13)5(9)10-6(3)11/h1H,(H,12,13)(H3,9,10,11) |
| InChI Key | WSSUAZKRKXPQHH-UHFFFAOYSA-N |
| MDL Number | MFCD07339522 |
| Molecular Formula | C7H5N3O3 |
| Molecular Weight | 179.1329 |
| SMILES | NC1=C(C(O)=O)C=C(C#N)C(=O)N1 |
| Synonyms | 2-amino-5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
138060-94-3,
AC1OEVFT,
2-amino-5-cyano-6-oxo-1H-pyridine-3-carboxylic Acid,
AC1Q50Q0,
CTK7C7114,
HMS1741D17,
ZINC3888503,
AKOS000117797,
MCULE-4503857072,
NE38296,
DA-45507,
FT-0753667,
EN300-14373,
J-007092,
Z99601156,
CID7063820,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.135g/mol |
| Monoisotopic Mass | 179.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number