| CAS Number | 1211516-97-0 |
| Catalog Number | AG01BC8E |
| Chemical Name | methyl 5-(propan-2-yl)pyridine-2-carboxylate |
| IUPAC Name | methyl 5-propan-2-ylpyridine-2-carboxylate |
| InChI | InChI=1S/C10H13NO2/c1-7(2)8-4-5-9(11-6-8)10(12)13-3/h4-7H,1-3H3 |
| InChI Key | NQIPQXCVYDTFNN-UHFFFAOYSA-N |
| MDL Number | MFCD18256204 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | COC(C1=NC=C(C(C)C)C=C1)=O |
| Synonyms | Methyl 5-isopropylpicolinate,
1211516-97-0,
methyl 5-(propan-2-yl)pyridine-2-carboxylate,
SCHEMBL7882554,
ZINC202783178,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number