| CAS Number | 75894-42-7 |
| Catalog Number | AG00IS1B(AGN-PC-0WAYS2) |
| Chemical Name | Ethyl 5-cyano-2-hydroxy-6-methylnicotinate |
| IUPAC Name | ethyl 5-cyano-6-methyl-2-oxo-1H-pyridine-3-carboxylate |
| InChI | InChI=1S/C10H10N2O3/c1-3-15-10(14)8-4-7(5-11)6(2)12-9(8)13/h4H,3H2,1-2H3,(H,12,13) |
| InChI Key | IOFDGVXYARBFOQ-UHFFFAOYSA-N |
| MDL Number | MFCD01311996 |
| Molecular Formula | C10H10N2O3 |
| Molecular Weight | 206.1980 |
| SMILES | O=C(OCC)C1(=C(O)N=C(C)C(=C1)C#N) |
| Synonyms | 75894-42-7,
ethyl 5-cyano-2-hydroxy-6-methylpyridine-3-carboxylate,
Ethyl 5-cyano-2-hydroxy-6-methylnicotinate,
SCHEMBL17294334,
KS-00001PYM,
IOFDGVXYARBFOQ-UHFFFAOYSA-N,
ZX-AT014084,
MFCD01311996,
ZINC66324203,
AKOS015991299,
CA-0862,
OR62050,
RP12005,
ethylcyanohydroxymethylpyridinecarboxylate,
AJ-115979,
5-(Ethoxycarbonyl)-6-hydroxy-2-methylnicotinonitrile,
5-cyano-2-hydroxy-6-methyl-3-pyridine-carboxylic acid, ethyl ester,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.201g/mol |
| Monoisotopic Mass | 206.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number