| CAS Number | 933731-45-4 |
| Catalog Number | AG018S9P(AGN-PC-0WO6PN) |
| Chemical Name | 2-(piperidin-1-yl)pyrimidine-4-carboxylic acid |
| IUPAC Name | 2-piperidin-1-ylpyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C10H13N3O2/c14-9(15)8-4-5-11-10(12-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H,14,15) |
| InChI Key | FIPFZKSXFLHCIG-UHFFFAOYSA-N |
| MDL Number | MFCD14281565 |
| Molecular Formula | C10H13N3O2 |
| Molecular Weight | 207.2291 |
| SMILES | OC(C1=NC(N2CCCCC2)=NC=C1)=O |
| Synonyms | 2-(piperidin-1-yl)pyrimidine-4-carboxylic acid,
933731-45-4,
ZINC32918400,
AKOS004911987,
MCULE-1178944973,
NE43898,
2-piperidino-4-pyrimidinecarboxylic acid,
EN300-83103,
F8889-3230,
Z1238835892,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.233g/mol |
| Monoisotopic Mass | 207.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number