| CAS Number | 1153759-48-8 |
| Catalog Number | AG01AJUW |
| Chemical Name | 6-(Pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid |
| IUPAC Name | 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C11H12N2O3/c14-10(13-6-1-2-7-13)8-4-3-5-9(12-8)11(15)16/h3-5H,1-2,6-7H2,(H,15,16) |
| InChI Key | VHRINNVKMJWRHB-UHFFFAOYSA-N |
| MDL Number | MFCD12137832 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | OC(C1=NC(C(N2CCCC2)=O)=CC=C1)=O |
| Synonyms | 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid,
1153759-48-8,
ZINC36756657,
AKOS008135320,
MCULE-3140558199,
NE35606,
EN300-81967,
6-[(pyrrolidin-1-yl)carbonyl]pyridine-2-carboxylic acid,
Z1235963364,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.228g/mol |
| Monoisotopic Mass | 220.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number