| CAS Number | 727736-71-2 |
| Catalog Number | AG00FHAX(AGN-PC-0WAKWA) |
| Chemical Name | 2-Pyridinecarbonitrile,6-fluoro-3-hydroxy-(9CI) |
| IUPAC Name | 6-fluoro-3-hydroxypyridine-2-carbonitrile |
| InChI | InChI=1S/C6H3FN2O/c7-6-2-1-5(10)4(3-8)9-6/h1-2,10H |
| InChI Key | NUGSGNAJEWFMMU-UHFFFAOYSA-N |
| MDL Number | MFCD18816440 |
| Molecular Formula | C6H3FN2O |
| Molecular Weight | 138.0992 |
| SMILES | FC1=CC=C(C(=N1)C#N)O |
| Synonyms | 727736-71-2,
6-Fluoro-3-hydroxypicolinonitrile,
6-fluoro-3-hydroxypyridine-2-carbonitrile,
SCHEMBL13291169,
ZINC39050008,
2-Pyridinecarbonitrile, 6-fluoro-3-hydroxy-,
2-Pyridinecarbonitrile,6-fluoro-3-hydroxy-(9CI),
2-Pyridinecarbonitrile, 6-fluoro-3-hydroxy- (9CI),
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.101g/mol |
| Monoisotopic Mass | 138.023g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number