| CAS Number | 1261922-93-3 |
| Catalog Number | AG009X62(AGN-PC-0WABQH) |
| Chemical Name | 6-[4-(Piperidinocarbonyl)phenyl]picolinic acid |
| IUPAC Name | 6-[4-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C18H18N2O3/c21-17(20-11-2-1-3-12-20)14-9-7-13(8-10-14)15-5-4-6-16(19-15)18(22)23/h4-10H,1-3,11-12H2,(H,22,23) |
| InChI Key | HPFFGBNOMBLPGN-UHFFFAOYSA-N |
| MDL Number | MFCD18318674 |
| Molecular Formula | C18H18N2O3 |
| Molecular Weight | 310.3471 |
| SMILES | O=C(c1ccc(cc1)c1cccc(n1)C(=O)O)N1CCCCC1 |
| Synonyms | 1261922-93-3,
6-[4-(Piperidinocarbonyl)phenyl]picolinic acid,
6-(4-(Piperidine-1-carbonyl)phenyl)picolinic acid,
6-[4-(PIPERIDINE-1-CARBONYL)PHENYL]PICOLINIC ACID,
MFCD18318674,
ZINC65349224,
Z9149,
K-2625,
C18H18N2O3,
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| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.353g/mol |
| Monoisotopic Mass | 310.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number