| CAS Number | 103589-67-9 |
| Catalog Number | AG01BDOD(AGN-PC-0WOTF8) |
| Chemical Name | 3-chloro-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile |
| IUPAC Name | 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile |
| InChI | InChI=1S/C9H7ClN2/c10-9-8(4-11)7-3-1-2-6(7)5-12-9/h5H,1-3H2 |
| InChI Key | FLEGGCQGXMOSQW-UHFFFAOYSA-N |
| MDL Number | MFCD19690416 |
| Molecular Formula | C9H7ClN2 |
| Molecular Weight | 178.6183 |
| SMILES | N#CC1=C(Cl)N=CC2=C1CCC2 |
| Synonyms | 103589-67-9,
3-chloro-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile,
3-chloro-6,7-dihydro-5H-Cyclopenta[c]pyridine-4-carbonitrile,
SCHEMBL19212125,
ZINC75568916,
AKOS022640100,
NE58917,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.619g/mol |
| Monoisotopic Mass | 178.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number