| CAS Number | 1427423-59-3 |
| Catalog Number | AG01BWYK |
| Chemical Name | 6-Cyano-3-methyl-pyridine-2-carboxylic acid methyl ester |
| IUPAC Name | methyl 6-cyano-3-methylpyridine-2-carboxylate |
| InChI | InChI=1S/C9H8N2O2/c1-6-3-4-7(5-10)11-8(6)9(12)13-2/h3-4H,1-2H3 |
| InChI Key | WSSXMHWFUBRWDR-UHFFFAOYSA-N |
| MDL Number | MFCD23706752 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | COC(=O)C1=NC(=CC=C1C)C#N |
| Synonyms | 1427423-59-3,
6-CYANO-3-METHYL-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER,
SCHEMBL17712893,
Methyl 6-cyano-3-methylpicolinate,
ZINC238343258,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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