| CAS Number | 1181452-15-2 |
| Catalog Number | AG019ZTO |
| Chemical Name | 5-[4-(dimethylamino)phenyl]pyridine-3-carboxylic acid |
| IUPAC Name | 5-[4-(dimethylamino)phenyl]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C14H14N2O2/c1-16(2)13-5-3-10(4-6-13)11-7-12(14(17)18)9-15-8-11/h3-9H,1-2H3,(H,17,18) |
| InChI Key | SKTBMKWUAWRZQZ-UHFFFAOYSA-N |
| MDL Number | MFCD11933509 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | CN(C1=CC=C(C2=CC(C(O)=O)=CN=C2)C=C1)C |
| Synonyms | 5-[4-(dimethylamino)phenyl]pyridine-3-carboxylic acid,
1181452-15-2,
ZINC32003169,
AKOS005979029,
MCULE-9817806721,
NE23494,
RP28522,
Z1415880183,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.278g/mol |
| Monoisotopic Mass | 242.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number