| CAS Number | 1247521-01-2 |
| Catalog Number | AG01C1JF |
| Chemical Name | 6-(5-chlorothiophen-2-yl)-2-hydroxypyridine-3-carbonitrile |
| IUPAC Name | 6-(5-chlorothiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile |
| InChI | InChI=1S/C10H5ClN2OS/c11-9-4-3-8(15-9)7-2-1-6(5-12)10(14)13-7/h1-4H,(H,13,14) |
| InChI Key | GNODEVHEEVJXRO-UHFFFAOYSA-N |
| MDL Number | MFCD19322884 |
| Molecular Formula | C10H5ClN2OS |
| Molecular Weight | 236.6775 |
| SMILES | OC1=C(C#N)C=CC(C2SC(Cl)=CC=2)=N1 |
| Synonyms | 6-(5-chlorothiophen-2-yl)-2-hydroxypyridine-3-carbonitrile,
1247521-01-2,
ZINC43395192,
AKOS006223528,
EN300-247520,
Z2379802675,
6-(5-chlorothiophen-2-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.673g/mol |
| Monoisotopic Mass | 235.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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