| CAS Number | 942938-37-6 |
| Catalog Number | AG00II17 |
| Chemical Name | 5-Cyano-2-cyclopentyloxypyridine |
| IUPAC Name | 6-cyclopentyloxypyridine-3-carbonitrile |
| InChI | InChI=1S/C11H12N2O/c12-7-9-5-6-11(13-8-9)14-10-3-1-2-4-10/h5-6,8,10H,1-4H2 |
| InChI Key | CPMLUNYPHAGCDE-UHFFFAOYSA-N |
| MDL Number | MFCD09940721 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | N#CC1=CN=C(OC2CCCC2)C=C1 |
| Synonyms | 942938-37-6,
5-Cyano-2-cyclopentyloxypyridine,
6-(cyclopentyloxy)pyridine-3-carbonitrile,
6-(cyclopentyloxy)nicotinonitrile,
SCHEMBL2695269,
MFCD09940721,
ZINC19483661,
AKOS000183874,
NE38753,
3-Cyano-6-cyclopentyloxypyridine AldrichCPR,
3-Pyridinecarbonitrile, 6-(cyclopentyloxy)-,
3-Cyano-6-cyclopentyloxypyridine, AldrichCPR,
F6608-1655,
6-cyclopentyloxy-pyridine-3-carbonitrile,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number