Basic information
- CAS
146874-38-6- Standard SMILES
CC(=O)c1nccc2[nH]cnc12- InChIKey
WTOOGKIOBGXDDY-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Overview
4-Acetylimidazo[4,5-c]pyridine is an imidazopyridine.
Names & identifiers
- Preferred name
- 1-(1H-imidazo[4,5-c]pyridin-4-yl)ethanone
- IUPAC
- 1-(1H-imidazo[4,5-c]pyridin-4-yl)ethanone
- English name
- Ethanone, 1-(1H-imidazo[4,5-c]pyridin-4-yl)- (9CI)
- Molecular formula
- C8H7N3O
- Molecular weight
- 161.16
Names & synonyms
1-(1H-imidazo[4,5-c]pyridin-4-yl)ethanone146874-38-64-Acetylimidazo[4,5-c]pyridine1-(3H-Imidazo[4,5-c]pyridin-4-yl)ethanone1-{1H-imidazo[4,5-c]pyridin-4-yl}ethan-1-oneEthanone, 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1-(1H-Imidazo[4,5-c]pyridin-4-yl)ethan-1-one2-Acetylpyrido[3,4-d]imidazole7YR9CQ9C5X1-{3H-imidazo[4,5-c]pyridin-4-yl}ethan-1-oneSCHEMBL21544519Ethanone, 1-(1H-imidazo[4,5-c]pyridin-4-yl)- (9CI)
Show more names
CHEBI:172419WTOOGKIOBGXDDY-UHFFFAOYSA-NDTXSID1012690702-Acetylpyrido[3,4-D]imidazole (incorr.)DB-2758761-(3H-Imidazo[4,5-c]pyridin-4-yl)ethanone #Ethanone, 1-(3H-imidazo[4,5-c]pyridin-4-yl)-1-(1H-Imidazo[4,5-c]pyridin-4-yl)ethanone, 9CI
Database identifiers
- CAS
146874-38-6- PubChem CID
- 577206
- DTXSID
DTXSID101269070- ChEBI
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 449.6 · 449.6±25.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 7.87 · 7.87±0.40(Predicted)
- FDA UNII
- 7 YR9CQ9C5X · 7YR9CQ9C5X
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers1 total
南京思诺康科技有限公司13891683844 13891683844 · [email protected]
Additional notes
DefinitionChEBI: 4-Acetylimidazo[4,5-c]pyridine is an imidazopyridine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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