Ethyl 5-hydroxy-7-methoxy-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate
Basic information
- CAS
50450-95-8- Standard SMILES
CCOC(=O)c1cc2cn(O)nc(OC)c-2n1- InChIKey
ZYKFQFXSJCXEBA-UHFFFAOYSA-N- Molecular formula
- C10H11N3O4
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.07495584
Names & identifiers
- Preferred name
- Ethyl 5-hydroxy-7-methoxy-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate
- IUPAC
- ethyl 5-hydroxy-7-methoxypyrrolo[2,3-d]pyridazine-2-carboxylate
Names & synonyms
50450-95-8NSC193001DTXSID40307580Ethyl 5-hydroxy-7-methoxy-5H-pyrrolo[2,3-d]pyridazine-2-carboxylateNSC-1930017-methoxy-5-oxido-1H-pyrrolo[5,4-d]pyridazin-5-ium-2-carboxylic acid ethyl ester
Database identifiers
- CAS
50450-95-8- PubChem CID
- 303650
- DTXSID
DTXSID40307580
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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