1H-Indole-3-carboxaldehyde, 5-methyl-2-(4-pyridinyl)-
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Basic information
- CAS
590349-05-6- Standard SMILES
Cc1ccc2[nH]c(-c3ccncc3)c(C=O)c2c1- InChIKey
XANASGDCNUHXNT-UHFFFAOYSA-N- Molecular formula
- C15H12N2O
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.09496301
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxaldehyde, 5-methyl-2-(4-pyridinyl)-
- IUPAC
- 5-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
- English name
- 1H-Indole-3-carboxaldehyde,5-methyl-2-(4-pyridinyl)-(9CI)
- Molecular formula
- C15H12N2O
- Molecular weight
- 236.27
Names & synonyms
590349-05-6DB-3229731H-INDOLE-3-CARBOXALDEHYDE, 5-METHYL-2-(4-PYRIDINYL)-5-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde1H-Indole-3-carboxaldehyde,5-methyl-2-(4-pyridinyl)-(9CI)
Database identifiers
- CAS
590349-05-6- PubChem CID
- 3754100
Properties
Computed structural propertiesFilling in
- 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
- 483.6 · 483.6±45.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 13.93 · 13.93±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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