| CAS Number | 954267-45-9 |
| Catalog Number | AG00IJ4F(AGN-PC-0WOL3F) |
| Chemical Name | 1-(5-Bromopyridin-2-yl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-(5-bromopyridin-2-yl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C11H13BrN2O2/c12-9-3-4-10(13-6-9)14-5-1-2-8(7-14)11(15)16/h3-4,6,8H,1-2,5,7H2,(H,15,16) |
| InChI Key | SNUOLUXXDCFITF-UHFFFAOYSA-N |
| MDL Number | MFCD09739754 |
| Molecular Formula | C11H13BrN2O2 |
| Molecular Weight | 285.1371 |
| SMILES | OC(C1CN(C2=NC=C(Br)C=C2)CCC1)=O |
| Synonyms | 1-(5-bromopyridin-2-yl)piperidine-3-carboxylic acid,
954267-45-9,
AC1Q74I2,
CTK7I9453,
KM3342,
MFCD09739754,
AKOS000146401,
MCULE-4480242100,
EN300-52176,
Z752371158,
3-Piperidinecarboxylic acid, 1-(5-bromo-2-pyridinyl),
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.141g/mol |
| Monoisotopic Mass | 284.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number