5-Methoxynicotinonitrile - CAS 298204-74-7
Catalog: |
BB020337 |
Product Name: |
5-Methoxynicotinonitrile |
CAS: |
298204-74-7 |
Synonyms: |
5-methoxypyridine-3-carbonitrile |
IUPAC Name: | 5-methoxypyridine-3-carbonitrile |
Description: | 5-Methoxynicotinonitrile (CAS# 298204-74-7) is a useful research chemical. |
Molecular Weight: | 134.14 |
Molecular Formula: | C7H6N2O |
Canonical SMILES: | COC1=CN=CC(=C1)C#N |
InChI: | InChI=1S/C7H6N2O/c1-10-7-2-6(3-8)4-9-5-7/h2,4-5H,1H3 |
InChI Key: | DMLPQTWDFZCDTJ-UHFFFAOYSA-N |
Boiling Point: | 238.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.16 g/cm3 |
MDL: | MFCD09909444 |
LogP: | 0.96188 |
Publication Number | Title | Priority Date |
WO-2020256544-A1 | Tetrazines for high click release speed and yield | 20190617 |
US-2015246934-A1 | Tricyclic gyrase inhibitors | 20120912 |
AU-2013294920-A1 | Derivatives of azaindazole or diazaindazole type for treating pain | 20120727 |
AU-2013294920-B2 | Derivatives of azaindazole or diazaindazole type for treating pain | 20120727 |
CA-2879595-A1 | Derivatives of azaindazole or diazaindazole type for treating pain | 20120727 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Related Functional Groups
Pyridines
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