| CAS Number | 1228182-78-2 |
| Catalog Number | AG00IS9L(AGN-PC-0WAZCQ) |
| Chemical Name | tert-Butyl 5-cyanopicolinate |
| IUPAC Name | tert-butyl 5-cyanopyridine-2-carboxylate |
| InChI | InChI=1S/C11H12N2O2/c1-11(2,3)15-10(14)9-5-4-8(6-12)7-13-9/h4-5,7H,1-3H3 |
| InChI Key | JASFKCWCINNIKP-UHFFFAOYSA-N |
| MDL Number | MFCD16622797 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | O=C(OC(C)(C)C)C1(=NC=C(C#N)C=C1) |
| Synonyms | tert-butyl 5-cyano-2-pyridinecarboxylate,
1228182-78-2,
tert-Butyl 5-cyanopicolinate,
tert-butyl 5-cyanopyridine-2-carboxylate,
tertbutylcyanopyridinecarboxylate,
CTK7C8222,
KS-000024UR,
ZX-RL003108,
MFCD16622797,
SBB093320,
ZINC52507783,
AKOS013212049,
EE-0714,
FCH5233635,
MCULE-7286919514,
RP11907,
BBV-38102992,
OR303879,
TR-071226,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.229g/mol |
| Monoisotopic Mass | 204.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number