2-Hydroxy-5-methylpyridine-3-carbonitrile - CAS 38076-79-8
Catalog: |
BB023525 |
Product Name: |
2-Hydroxy-5-methylpyridine-3-carbonitrile |
CAS: |
38076-79-8 |
Synonyms: |
5-methyl-2-oxo-1H-pyridine-3-carbonitrile; 5-methyl-2-oxo-1H-pyridine-3-carbonitrile |
IUPAC Name: | 5-methyl-2-oxo-1H-pyridine-3-carbonitrile |
Description: | 2-Hydroxy-5-methylpyridine-3-carbonitrile (CAS# 38076-79-8) is a useful research chemical. |
Molecular Weight: | 134.14 |
Molecular Formula: | C7H6N2O |
Canonical SMILES: | CC1=CNC(=O)C(=C1)C#N |
InChI: | InChI=1S/C7H6N2O/c1-5-2-6(3-8)7(10)9-4-5/h2,4H,1H3,(H,9,10) |
InChI Key: | GKYJTSJLGDBJKC-UHFFFAOYSA-N |
LogP: | 0.96728 |
Publication Number | Title | Priority Date |
US-2016235716-A1 | Spirocyclic hat inhibitors and methods for their use | 20140918 |
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Complexity: | 277 |
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: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.048012819 |
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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