Diethyl 3-(4-bromobenzoyl)-5-(2-pyridinyl)-1,2-indolizinedicarboxylate
Basic information
- CAS
853319-40-1- Standard SMILES
CCOC(=O)c1c(C(=O)OCC)c2cccc(-c3ccccn3)n2c1C(=O)c1ccc(Br)cc1- InChIKey
AUDWGOBAWASOPK-UHFFFAOYSA-N- Molecular formula
- C26H21BrN2O5
- Average molar mass
- 521.4 g/mol
- Monoisotopic mass
- 520.06338
Names & identifiers
- Preferred name
- Diethyl 3-(4-bromobenzoyl)-5-(2-pyridinyl)-1,2-indolizinedicarboxylate
- IUPAC
- diethyl 3-(4-bromobenzoyl)-5-pyridin-2-ylindolizine-1,2-dicarboxylate
Names & synonyms
853319-40-1diethyl 3-(4-bromobenzoyl)-5-(2-pyridinyl)-1,2-indolizinedicarboxylateRefChem:587139665-561-1Diethyl 3-(4-bromobenzoyl)-5-(pyridin-2-yl)indolizine-1,2-dicarboxylateAKOS024435437Diethyl3-(4-bromobenzoyl)-5-(pyridin-2-yl)indolizine-1,2-dicarboxylate1,2-dicarboethoxy-3-(4-bromobenzoyl)-5-(2-pyridyl)-pyrrolo[1,2-a]pyridine
Database identifiers
- CAS
853319-40-1- PubChem CID
- 45051180
- EC Number
- 665-561-1
- Nikkaji
- J2.859.232I
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 741
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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