Ethyl 5-Cyano-6-hydroxynicotinate - CAS 74443-00-8
Catalog: |
BB066309 |
Product Name: |
Ethyl 5-Cyano-6-hydroxynicotinate |
CAS: |
74443-00-8 |
Synonyms: |
Ethyl 5-cyano-6-hydroxynicotinate; ethyl 5-cyano-6-oxo-1H-pyridine-3-carboxylate; ethyl 5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylate; Ethyl5-cyano-6-hydroxynicotinate |
IUPAC Name: | ethyl 5-cyano-6-oxo-1H-pyridine-3-carboxylate |
Description: | Ethyl 5-Cyano-6-hydroxynicotinate is a useful research chemical compound used in the preparation of thienopyridine derivatives as new diuretic urea transporter inhibitors. |
Molecular Weight: | 192.18 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | CCOC(=O)C1=CNC(=O)C(=C1)C#N |
InChI: | InChI=1S/C9H8N2O3/c1-2-14-9(13)7-3-6(4-10)8(12)11-5-7/h3,5H,2H2,1H3,(H,11,12) |
InChI Key: | VQGMRETZBGIACU-UHFFFAOYSA-N |
References: | Zhao, Y., et al. Eur. J. Med. Chem. 172. 131-42, (2019). |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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