5-Fluoro-2-pivalamidonicotinic acid - CAS 1228666-46-3
Catalog: |
BB056113 |
Product Name: |
5-Fluoro-2-pivalamidonicotinic acid |
CAS: |
1228666-46-3 |
Synonyms: |
5-Fluoro-2-pivalamidonicotinic acid; 2-(2,2-dimethylpropanoylamino)-5-fluoropyridine-3-carboxylic acid; 5-Fluoro-2-pivalamidonicotinicacid |
IUPAC Name: | 2-(2,2-dimethylpropanoylamino)-5-fluoropyridine-3-carboxylic acid |
Description: | 5-Fluoro-2-pivalamidonicotinic acid |
Molecular Weight: | 240.23 |
Molecular Formula: | C11H13FN2O3 |
Canonical SMILES: | CC(C)(C)C(=O)NC1=C(C=C(C=N1)F)C(=O)O |
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 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.09102044 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.09102044 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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