| CAS Number | 56930-72-4 |
| Catalog Number | AG01AHTO(AGN-PC-0WOBVY) |
| Chemical Name | 2-chloro-6-(pyrrolidin-1-yl)pyridine-4-carboxylic acid |
| IUPAC Name | 2-chloro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C10H11ClN2O2/c11-8-5-7(10(14)15)6-9(12-8)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15) |
| InChI Key | YNFKZONCUONSFE-UHFFFAOYSA-N |
| MDL Number | MFCD11214852 |
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.6595 |
| SMILES | OC(C1=CC(N2CCCC2)=NC(Cl)=C1)=O |
| Synonyms | 2-chloro-6-(pyrrolidin-1-yl)pyridine-4-carboxylic acid,
56930-72-4,
ZINC36960152,
AKOS009349238,
MCULE-9922803330,
NE34379,
EN300-75787,
Z1270358391,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.66g/mol |
| Monoisotopic Mass | 226.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number