2-Hydroxyisonicotinonitrile - CAS 95891-29-5
Catalog: |
BB041869 |
Product Name: |
2-Hydroxyisonicotinonitrile |
CAS: |
95891-29-5 |
Synonyms: |
2-oxo-1H-pyridine-4-carbonitrile; 2-oxo-1H-pyridine-4-carbonitrile |
IUPAC Name: | 2-oxo-1H-pyridine-4-carbonitrile |
Description: | 2-Hydroxyisonicotinonitrile (CAS# 95891-29-5 ) is a useful research chemical. |
Molecular Weight: | 120.11 |
Molecular Formula: | C6H4N2O |
Canonical SMILES: | C1=CNC(=O)C=C1C#N |
InChI: | InChI=1S/C6H4N2O/c7-4-5-1-2-8-6(9)3-5/h1-3H,(H,8,9) |
InChI Key: | QCOIIYBOBZFBJE-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 0.65888 |
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 |
US-2021094921-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20190927 |
WO-2021062199-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20190927 |
CN-112105609-A | Substituted imidazolidin-2-one derivatives as PRMT5 inhibitors | 20180322 |
IL-277518-D0 | Inhibitors of prmt5 | 20180322 |
KR-20200135827-A | Imidazolidin-2-one derivatives substituted as PRMT5 inhibitors | 20180322 |
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: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.032362755 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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