6H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,4,5-trimethyl-7-phenyl-, ethyl ester
Basic information
- CAS
57435-63-9- Standard SMILES
CCOC(=O)c1c(C)nc2c(-c3ccccc3)[nH]c(C)c2c1C- InChIKey
OBGXOHJWKNHJCU-UHFFFAOYSA-N- Molecular formula
- C19H20N2O2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.15247789
Names & identifiers
- Preferred name
- 6H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,4,5-trimethyl-7-phenyl-, ethyl ester
- IUPAC
- ethyl 2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridine-3-carboxylate
Names & synonyms
BRN 05523736H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,4,5-trimethyl-7-phenyl-, ethyl ester57435-63-9DTXSID602060212,4,5-Trimethyl-3-carbethoxy-7-phenyl-6H-pyrrolo(3,4-b)pyridineRefChem:309790DTXCID60128512ethyl 2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridine-3-carboxylate
Database identifiers
- CAS
57435-63-9- PubChem CID
- 5745490
- DTXSID
DTXSID60206021
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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