| CAS Number | 2096332-02-2 |
| Catalog Number | AG01EHH1 |
| Chemical Name | 5-Chloro-2-pyrrolidinopyridine-3-boronic acid |
| IUPAC Name | (5-chloro-2-pyrrolidin-1-ylpyridin-3-yl)boronic acid |
| InChI | InChI=1S/C9H12BClN2O2/c11-7-5-8(10(14)15)9(12-6-7)13-3-1-2-4-13/h5-6,14-15H,1-4H2 |
| InChI Key | NIVCYJSWXLINMA-UHFFFAOYSA-N |
| MDL Number | MFCD20491431 |
| Molecular Formula | C9H12BClN2O2 |
| Molecular Weight | 226.4678 |
| SMILES | Clc1cnc(c(c1)B(O)O)N1CCCC1 |
| Synonyms | 5-Chloro-2-pyrrolidinopyridine-3-boronic acid,
2096332-02-2,
(5-Chloro-2-(pyrrolidin-1-yl)pyridin-3-yl)boronic acid,
C9H12BClN2O2,
MFCD20491431,
AKOS027340210,
ZINC169955664,
SC-54040,
Y2827,
B-9354,
N/A,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.467g/mol |
| Monoisotopic Mass | 226.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number