| CAS Number | 112091-17-5 |
| Catalog Number | AG008VSD(AGN-PC-0NXTR1) |
| Chemical Name | (S)-2-Chloro-5-(1-methylpyrrolidin-2-yl)pyridine |
| IUPAC Name | 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
| InChI | InChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3/t9-/m0/s1 |
| InChI Key | SVVOLGNZRGLPIU-VIFPVBQESA-N |
| MDL Number | MFCD22577282 |
| Molecular Formula | C10H13ClN2 |
| Molecular Weight | 196.6766 |
| SMILES | CN1[C@H](C2=CN=C(Cl)C=C2)CCC1 |
| Synonyms | (S)-6-Chloronicotine,
6-Chloro-nicotine,
112091-17-5,
(S)-2-chloro-5-(1-methylpyrrolidin-2-yl)pyridine,
2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine,
SCHEMBL611690,
DTXSID90442718,
SVVOLGNZRGLPIU-VIFPVBQESA-N,
ZINC13444106,
2-Chloro-5-(1-methyl-2-pyrrolidinyl)-pyridine,
2-Chloro-5-((S)-1-methyl-pyrrolidin-2-yl)-pyridine,
Pyridine, 2-chloro-5-[(2S)-1-methyl-2-pyrrolidinyl]-,
CID10631771,
2-chloro-5-(1-methylpyrrolidin-2-yl)pyridine,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.678g/mol |
| Monoisotopic Mass | 196.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 16.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number