| CAS Number | 273748-51-9 |
| Catalog Number | AG00I56V(AGN-PC-0H2P2H) |
| Chemical Name | 2-(Pyridin-3-ylmethyl)quinuclidin-3-one |
| IUPAC Name | 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one |
| InChI | InChI=1S/C13H16N2O/c16-13-11-3-6-15(7-4-11)12(13)8-10-2-1-5-14-9-10/h1-2,5,9,11-12H,3-4,6-8H2 |
| InChI Key | RDZRUHBKCNPOPR-UHFFFAOYSA-N |
| MDL Number | MFCD24848637 |
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.2789 |
| SMILES | O=C1C2CCN(CC2)C1Cc1cccnc1 |
| Synonyms | 2-(Pyridin-3-ylmethyl)quinuclidin-3-one,
273748-51-9,
SCHEMBL372987,
RDZRUHBKCNPOPR-UHFFFAOYSA-N,
MFCD24848637,
CS-0037739,
racemic 2-(3-pyridinylmethyl)-3-quinuclidinone,
1-Azabicyclo[2.2.2]octan-3-one, 2-(3-pyridinylmethyl)-,
1-Azabicyclo[2.2.2]octan-3-one,2-(3-pyridinylmethyl)-,
2((3-Pyridinyl)methyl)-1-azabicyclo[2.2.2]octan-3-one,
2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]octan-3-one,
2-((3-pyridyl)methyl)-1-azabicyclo[2.2.2]octan-3-one,
CID10220030,
7-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-8-one,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.284g/mol |
| Monoisotopic Mass | 216.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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