| CAS Number | 1257901-68-0 |
| Catalog Number | AG01A64O(AGN-PC-0WO9RM) |
| Chemical Name | 3-(pyrrolidin-1-yl)pyridine-4-carboxylic acid |
| IUPAC Name | 3-pyrrolidin-1-ylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-7-9(8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14) |
| InChI Key | CRWCKDDTUOLQDZ-UHFFFAOYSA-N |
| MDL Number | MFCD03411731 |
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.2145 |
| SMILES | C1CCN(C1)C2=CN=CC=C2C(=O)O |
| Synonyms | 3-(Pyrrolidin-1-yl)isonicotinic acid,
1257901-68-0,
3-(pyrrolidin-1-yl)pyridine-4-carboxylic acid,
ZINC2525022,
AKOS006278885,
KS-8596,
MCULE-3263073969,
NE45929,
Z1642061119,
153716-51-9,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.218g/mol |
| Monoisotopic Mass | 192.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number