| CAS Number | 1820740-51-9 |
| Catalog Number | AG00I148 |
| Chemical Name | 2-Chloro-3-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine |
| IUPAC Name | 2-chloro-3-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine |
| InChI | InChI=1S/C11H13ClN2/c1-8-6-10(7-14-11(8)12)9-2-4-13-5-3-9/h2,6-7,13H,3-5H2,1H3 |
| InChI Key | ZJRWSVKJWJPABK-UHFFFAOYSA-N |
| MDL Number | MFCD28143960 |
| Molecular Formula | C11H13ClN2 |
| Molecular Weight | 208.6873 |
| SMILES | Clc1ncc(cc1C)C1=CCNCC1 |
| Synonyms | 1820740-51-9,
6-Chloro-5-methyl-1',2',3',6'-tetrahydro-3,4'-bipyridine,
2-Chloro-3-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine,
ZINC216707148,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.689g/mol |
| Monoisotopic Mass | 208.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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