| CAS Number | 107946-76-9 |
| Catalog Number | AG00VV2Z(AGN-PC-0LGG5W) |
| Chemical Name | 5-(Pyrrolidin-1-yl)nicotinic acid |
| IUPAC Name | 5-pyrrolidin-1-ylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H12N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h5-7H,1-4H2,(H,13,14) |
| InChI Key | UGWSMWOVLUKDAT-UHFFFAOYSA-N |
| MDL Number | MFCD06254780 |
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.2145 |
| SMILES | OC(=O)C1=CN=CC(=C1)N1CCCC1 |
| Synonyms | 5-(pyrrolidin-1-yl)nicotinic acid,
107946-76-9,
AC1NHDWD,
5-pyrrolidin-1-ylpyridine-3-carboxylic Acid,
SCHEMBL5593185,
ZINC26459760,
AKOS002664477,
KS-9538,
MCULE-1210283670,
FT-0767732,
5-(pyrrolidin-1-yl)pyridine-3-carboxylic acid,
3-Pyridinecarboxylic acid, 5-(1-pyrrolidinyl)-,
F2167-4316,
CID4738578,
|
| 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