6-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde
Basic information
- Standard SMILES
C#Cc1ccc2c(C=O)c[nH]c2n1- InChIKey
HVEMAENVKVSZCG-UHFFFAOYSA-N- Molecular formula
- C10H6N2O
- Average molar mass
- 170.17 g/mol
Names & identifiers
- Preferred name
- 6-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde
- IUPAC
- 6-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
Names & synonyms
SCHEMBL14735522HVEMAENVKVSZCG-UHFFFAOYSA-N6-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde
Database identifiers
- PubChem CID
- 86682004
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Related reactions
2 records
Compound notes
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