| CAS Number | 945347-52-4 |
| Catalog Number | AG00J93S(AGN-PC-0WNL8I) |
| Chemical Name | 2-(Cyclopentylamino)nicotinonitrile |
| IUPAC Name | 2-(cyclopentylamino)pyridine-3-carbonitrile |
| InChI | InChI=1S/C11H13N3/c12-8-9-4-3-7-13-11(9)14-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6H2,(H,13,14) |
| InChI Key | MLXRNSZZOUYFMZ-UHFFFAOYSA-N |
| MDL Number | MFCD09455269 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | N#CC1=C(NC2CCCC2)N=CC=C1 |
| Synonyms | 2-(cyclopentylamino)nicotinonitrile,
945347-52-4,
2-(cyclopentylamino)pyridine-3-carbonitrile,
CTK7C8912,
ALBB-004810,
MFCD09455269,
STK501321,
ZINC19422936,
AKOS000168123,
TR-053877,
EN300-75311,
T0683,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.246g/mol |
| Monoisotopic Mass | 187.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number