Methyl 2-Cyanoisonicotinate - CAS 94413-64-6
Catalog: |
BB041305 |
Product Name: |
Methyl 2-Cyanoisonicotinate |
CAS: |
94413-64-6 |
Synonyms: |
2-cyano-4-pyridinecarboxylic acid methyl ester; methyl 2-cyanopyridine-4-carboxylate |
IUPAC Name: | methyl 2-cyanopyridine-4-carboxylate |
Description: | 2-Cyano-4-pyridinecarboxylic Acid Methyl Ester, can be used in the synthesis of various pharmaceutical and biologically active compounds, such as tetrasubstituted imidazolines as potent and selective neuropeptide Y (NPY) Y5 receptor antagonists. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | COC(=O)C1=CC(=NC=C1)C#N |
InChI: | InChI=1S/C8H6N2O2/c1-12-8(11)6-2-3-10-7(4-6)5-9/h2-4H,1H3 |
InChI Key: | ORVHMLCJEKDDAX-UHFFFAOYSA-N |
Boiling Point: | 296.6 °C at 760 mmHg |
Flash Point: | 133.2°C |
Density: | 1.25 g/cm3 |
MDL: | MFCD07367894 |
LogP: | 0.73988 |
Refractive Index: | 1.536 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112645931-A | Preparation method of medicine for treating chronic hyperuricemia | 20201216 |
WO-2021178488-A1 | Eif4e inhibitors and uses thereof | 20200303 |
CN-110981795-A | Method for preparing 2-amido isonicotinic acid by using methyl 2-cyanoisonicotinate | 20191218 |
CN-110981795-B | Method for preparing 2-aminoacyl isonicotinic acid by using methyl 2-cyanoisonicotinate | 20191218 |
CN-110698395-A | Preparation method of topiroxostat intermediate | 20191022 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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