| CAS Number | 405058-91-5 |
| Catalog Number | AG01FP3L(AGN-PC-0FT4EL) |
| Chemical Name | 2-Pyridinecarboxamide, N-[4-(hydroxymethyl)phenyl]- |
| IUPAC Name | N-[4-(hydroxymethyl)phenyl]pyridine-2-carboxamide |
| InChI | InChI=1S/C13H12N2O2/c16-9-10-4-6-11(7-5-10)15-13(17)12-3-1-2-8-14-12/h1-8,16H,9H2,(H,15,17) |
| InChI Key | PTWYCNZHLBDYTC-UHFFFAOYSA-N |
| MDL Number | MFCD20211622 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | OCC1=CC=C(C=C1)NC(=O)C1=NC=CC=C1 |
| Synonyms | PTWYCNZHLBDYTC-UHFFFAOYSA-N,
AKOS014121528,
AS-68682,
N-[4-(hydroxymethyl)phenyl]pyridine-2-carboxamide,
Pyridine-2-carboxylic acid (4-hydroxymethyl-phenyl)amide,
Pyridine-2-carboxylic acid (4-Hydroxymethyl-phenyl)-amide,
405058-91-5,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.089878g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.25g/mol |
| Monoisotopic Mass | 228.089878g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number