7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
Basic information
- CAS
590348-59-7- Standard SMILES
Cc1cccc2c(C=O)c(-c3ccncc3)[nH]c12- InChIKey
YQEVJTBIHVZXAZ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.09496301
Names & identifiers
- Preferred name
- 7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
- IUPAC
- 7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
- English name
- 1H-Indole-3-carboxaldehyde,7-methyl-2-(4-pyridinyl)-(9CI)
- Molecular formula
- C15H12N2O
- Molecular weight
- 236.27
Names & synonyms
590348-59-7DB-3229781H-INDOLE-3-CARBOXALDEHYDE, 7-METHYL-2-(4-PYRIDINYL)-1H-Indole-3-carboxaldehyde,7-methyl-2-(4-pyridinyl)-(9CI)
Database identifiers
- CAS
590348-59-7- PubChem CID
- 3571084
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 477.5 · 477.5±45.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 14.05 · 14.05±0.30(Predicted)
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Compound notes
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