5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile - CAS 72716-80-4
Catalog: |
BB034673 |
Product Name: |
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile |
CAS: |
72716-80-4 |
Synonyms: |
5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile; 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile |
IUPAC Name: | 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile |
Description: | An intermediate in the preparation of HIV-1 specific reverse transcriptase inhibitors, antiallergic agents, and Omeprazole metabolites. |
Molecular Weight: | 148.16 |
Molecular Formula: | C8H8N2O |
Canonical SMILES: | CC1=C(NC(=O)C(=C1)C#N)C |
InChI: | InChI=1S/C8H8N2O/c1-5-3-7(4-9)8(11)10-6(5)2/h3H,1-2H3,(H,10,11) |
InChI Key: | BUGNNHLZTBPABI-UHFFFAOYSA-N |
Boiling Point: | 335.6 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
MDL: | MFCD03004855 |
LogP: | 0.86338 |
Publication Number | Title | Priority Date |
CN-109320499-A | Pyrrole-3-carboxamide class compound and its preparation method and application | 20181114 |
CN-109320499-B | Pyrrole-3-formamide compound and preparation method and application thereof | 20181114 |
AU-2018344926-A1 | Chemical compounds | 20171005 |
CA-3078312-A1 | Chemical compounds | 20171005 |
KR-20200065024-A | Chemical compounds | 20171005 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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