4-Hydroxynicotinonitrile - CAS 89324-16-3
Catalog: |
BB039426 |
Product Name: |
4-Hydroxynicotinonitrile |
CAS: |
89324-16-3 |
Synonyms: |
4-oxo-1H-pyridine-3-carbonitrile; 4-oxo-1H-pyridine-3-carbonitrile |
IUPAC Name: | 4-oxo-1H-pyridine-3-carbonitrile |
Description: | 4-Hydroxynicotinonitrile (CAS# 89324-16-3) is a useful research chemical. |
Molecular Weight: | 120.11 |
Molecular Formula: | C6H4N2O |
Canonical SMILES: | C1=CNC=C(C1=O)C#N |
InChI: | InChI=1S/C6H4N2O/c7-3-5-4-8-2-1-6(5)9/h1-2,4H,(H,8,9) |
InChI Key: | ZSGWFOMHWZIAEW-UHFFFAOYSA-N |
Boiling Point: | 244.6 °C at 760 mmHg |
Density: | 1.27 g/cm3 |
LogP: | 0.65888 |
Publication Number | Title | Priority Date |
AU-2017362066-A1 | Inhibitors of bruton's tyrosine kinase | 20161118 |
BR-112019009945-A2 | bruton tyrosine kinase inhibitors | 20161118 |
CA-3043297-A1 | Inhibitors of bruton's tyrosine kinase | 20161118 |
EP-3541811-A1 | Inhibitors of bruton's tyrosine kinase | 20161118 |
JP-2019537611-A | Inhibitors of Bruton's tyrosine kinase | 20161118 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.032362755 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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