| CAS Number | 926248-50-2 |
| Catalog Number | AG01A9PV |
| Chemical Name | 6-(4-Methylpiperidin-1-yl)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H16N2O2/c1-9-4-6-14(7-5-9)11-3-2-10(8-13-11)12(15)16/h2-3,8-9H,4-7H2,1H3,(H,15,16) |
| InChI Key | YQPINMZQOZZKPY-UHFFFAOYSA-N |
| MDL Number | MFCD09043711 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | CC1CCN(C2=NC=C(C(O)=O)C=C2)CC1 |
| Synonyms | 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid,
926248-50-2,
AC1Q2R8F,
SCHEMBL4252011,
CTK6C2868,
ZINC19731747,
AKOS000127884,
MCULE-2781895880,
NE25706,
EN300-65782,
6-(4-METHYLPIPERIDIN-1-YL)NICOTINIC ACID,
Z1171979270,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number