Basic information
- CAS
588669-88-9- Standard SMILES
CCc1ccc2[nH]c(-c3ccncc3)c(C=O)c2c1- InChIKey
PPNMWQKKBVLFPV-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxaldehyde, 5-ethyl-2-(4-pyridinyl)-
- IUPAC
- 5-ethyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
- English name
- 1H-Indole-3-carboxaldehyde,5-ethyl-2-(4-pyridinyl)-(9CI)
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
588669-88-9DB-2793651H-INDOLE-3-CARBOXALDEHYDE, 5-ETHYL-2-(4-PYRIDINYL)-1H-Indole-3-carboxaldehyde,5-ethyl-2-(4-pyridinyl)-(9CI)
Database identifiers
- CAS
588669-88-9- PubChem CID
- 3727025
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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