| CAS Number | 1422469-43-9 |
| Catalog Number | AG009J91 |
| Chemical Name | 2-Chloro-7,7-dimethyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile |
| IUPAC Name | 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile |
| InChI | InChI=1S/C11H11ClN2/c1-11(2)4-3-7-5-8(6-13)10(12)14-9(7)11/h5H,3-4H2,1-2H3 |
| InChI Key | VBQZZZMWBAHYCL-UHFFFAOYSA-N |
| MDL Number | MFCD23785581 |
| Molecular Formula | C11H11ClN2 |
| Molecular Weight | 206.6714 |
| SMILES | CC1(C2=C(C=C(C(=N2)Cl)C#N)CC1)C |
| Synonyms | 1422469-43-9,
2-Chloro-7,7-dimethyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile,
2-chloro-7,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile,
SCHEMBL14698246,
VBQZZZMWBAHYCL-UHFFFAOYSA-N,
AKOS018416659,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.673g/mol |
| Monoisotopic Mass | 206.061g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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