ethyl 2-{3H-imidazo[4,5-b]pyridin-2-yl}acetate
Basic information
- CAS
107932-98-9- Standard SMILES
CCOC(=O)Cc1nc2ncccc2[nH]1- InChIKey
MBJLVQKGFDSQGA-UHFFFAOYSA-N- Molecular formula
- C10H11N3O2
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.0851266
Names & identifiers
- Preferred name
- ethyl 2-{3H-imidazo[4,5-b]pyridin-2-yl}acetate
- IUPAC
- ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
- English name
- ethyl 2-{3H-imidazo[4,5-b]pyridin-2-yl}acetate
- Molecular formula
- C10H11N3O2
- Molecular weight
- 205.21
Names & synonyms
Ethyl 2-(3H-imidazo[4,5-b]pyridin-2-yl)acetateethyl 2-{3H-imidazo[4,5-b]pyridin-2-yl}acetateEthyl 3H-imidazo[4,5-b]pyridine-2-acetateEthyl 3H-imidazo(4,5-b)pyridine-2-acetateethyl 2-(3H-imidazo(4,5-b)pyridin-2-yl)acetateRefChem:593822887-465-0107932-98-9Ethyl 3H-imidazo[4,5-b]pyridin-2-ylacetateethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetatestarbld0034752SCHEMBL3380080
Show more names
3H-Imidazo[4,5-b]pyridine-2-acetic acid, ethyl ester
SCHEMBL3380916MBJLVQKGFDSQGA-UHFFFAOYSA-NDTXSID001270476AKOS018029685EN300-208967Ethyl (1H-imidazo[4,5-b]pyridin-2-yl)acetate
Database identifiers
- CAS
107932-98-9- PubChem CID
- 13625463
- DTXSID
DTXSID001270476- EC Number
- 887-465-0
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 158 · 158-160 °C
- Boiling point
- 346.1 · 346.1±44.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 6.86 · 6.86±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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