Methyl 5-Cyanonicotinate - CAS 106726-82-3
Catalog: |
BB001909 |
Product Name: |
Methyl 5-Cyanonicotinate |
CAS: |
106726-82-3 |
Synonyms: |
5-cyano-3-pyridinecarboxylic acid methyl ester; methyl 5-cyanopyridine-3-carboxylate |
IUPAC Name: | methyl 5-cyanopyridine-3-carboxylate |
Description: | Methyl 5-Cyanonicotinate (CAS# 106726-82-3) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | COC(=O)C1=CN=CC(=C1)C#N |
InChI: | InChI=1S/C8H6N2O2/c1-12-8(11)7-2-6(3-9)4-10-5-7/h2,4-5H,1H3 |
InChI Key: | RLUVYUFWNPLVPL-UHFFFAOYSA-N |
Boiling Point: | 269.2 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 0.73988 |
Publication Number | Title | Priority Date |
CN-111825654-A | Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof | 20190419 |
WO-2020211836-A1 | Benzene piperidine derivative, preparation method therefor, intermediate thereof and use thereof | 20190419 |
CA-3079833-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
US-2019127358-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
BR-112020008457-A2 | bridged bicyclic compounds as farnesoid receptor modulators x | 20171101 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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