2-Acetylpyridine Details
: IUPAC Name
1-pyridin-2-ylethanone
:Chemical Class
:CAS Registry Number
1122-62-9
:Description
:Fragrance Type
popcorn
Physical and Chemical properties
PUBCHEM ID | 14286 |
Molecular Weight (mg/mol) | 121.137 |
Molecular Formula | C7H7NO |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
IUPAC Name | 1-pyridin-2-ylethanone |
Canonical SMILES | CC(=O)c1ccccn1 |
PUBCHEM IUPAC INCHIKEY | AJKVQEKCUACUMD-UHFFFAOYSA-N |
Solubility Level | 4 |
Vapour Pressure | -0.72 |
Absorption and Metabolism information
XLOGP3 AA | |
CACTVS TPSA | 30 |
BBB Level | 2 |
Absorption Level | 0 |
EXT PPB#Prediction | 0 |
AlogP98 | 0.847 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Multi-Carcinogen |
Mouse Male FDA | Single-Carcinogen |
Rat Female FDA | Multi-Carcinogen |
Rat Male FDA | Single-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 0.607503 g/kg_body_weight |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | |
Ecological Information
Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
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1 |
1122-62-9 |
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2 |
1122-62-9 |
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Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
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1 | | |
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1122-62-9 |
2-Acetylpyridine |
Plant Variety and Essential oils