| CAS Number | 1228666-46-3 |
| Catalog Number | AG00HH47(AGN-PC-0WAO5J) |
| Chemical Name | 5-Fluoro-2-pivalamidonicotinic acid |
| IUPAC Name | 2-(2,2-dimethylpropanoylamino)-5-fluoropyridine-3-carboxylic acid |
| InChI | InChI=1S/C11H13FN2O3/c1-11(2,3)10(17)14-8-7(9(15)16)4-6(12)5-13-8/h4-5H,1-3H3,(H,15,16)(H,13,14,17) |
| InChI Key | YEIHHQAWOHUOPF-UHFFFAOYSA-N |
| MDL Number | MFCD16628223 |
| Molecular Formula | C11H13FN2O3 |
| Molecular Weight | 240.2309 |
| SMILES | Fc1cnc(c(c1)C(=O)O)NC(=O)C(C)(C)C |
| Synonyms | 5-Fluoro-2-pivalamidonicotinic acid,
1228666-46-3,
AC1Q1LPL,
CTK7C2727,
MFCD16628223,
ZINC66054238,
AKOS015853247,
TR-071268,
5-Fluoro-2-pivalamidonicotinic acid, AldrichCPR,
2-(2,2-dimethylpropanamido)-5-fluoropyridine-3-carboxylic acid,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.234g/mol |
| Monoisotopic Mass | 240.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number