Basic information
- Standard SMILES
CCOC(=O)c1[nH]c2cnccc2c1-c1ccc(N)cc1- InChIKey
KTZLZSICAKXCCG-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- ethyl 3-(4-aminophenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
- IUPAC
- ethyl 3-(4-aminophenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
Names & synonyms
SCHEMBL1882567KTZLZSICAKXCCG-UHFFFAOYSA-Nethyl 3-(4-aminophenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
Database identifiers
- PubChem CID
- 57445352
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
4 records
Compound notes
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