Ethyl 2-Cyanopyridine-4-carboxylate - CAS 58481-14-4
Catalog: |
BB030056 |
Product Name: |
Ethyl 2-Cyanopyridine-4-carboxylate |
CAS: |
58481-14-4 |
Synonyms: |
2-cyano-4-pyridinecarboxylic acid ethyl ester; ethyl 2-cyanopyridine-4-carboxylate |
IUPAC Name: | ethyl 2-cyanopyridine-4-carboxylate |
Description: | 2-Cyano-4-pyridinecarboxylic Acid Ethyl Ester, can be used in the synthesis of various pharmaceutical compounds, such as tuberculostatic drugs of the isonicotinic acid hydrazide type. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC(=NC=C1)C#N |
InChI: | InChI=1S/C9H8N2O2/c1-2-13-9(12)7-3-4-11-8(5-7)6-10/h3-5H,2H2,1H3 |
InChI Key: | HZIKYLAZZZSYKF-UHFFFAOYSA-N |
MDL: | MFCD10574965 |
LogP: | 1.12998 |
Publication Number | Title | Priority Date |
CN-110698395-A | Preparation method of topiroxostat intermediate | 20191022 |
CN-110698395-B | Preparation method of topiroxostat intermediate | 20191022 |
WO-2013127268-A1 | Amido-benzyl sulfone and sulfonamide derivatives | 20120302 |
US-2014290746-A1 | Metal complex dye, photoelectric conversion element, dye-sensitized solar cell, dye solution, and compound | 20111215 |
US-9564274-B2 | Metal complex dye, photoelectric conversion element, dye-sensitized solar cell, dye solution, and compound | 20111215 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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