2,5-Dimethyl-1-pyridin-4-ylmethyl-1H-pyrrole-3-carbaldehyde
Basic information
- CAS
883537-86-8- Standard SMILES
Cc1cc(C=O)c(C)n1Cc1ccncc1- InChIKey
SNYOVWYDEUFGLX-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1-pyridin-4-ylmethyl-1H-pyrrole-3-carbaldehyde
- IUPAC
- 2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carbaldehyde
- English name
- 2,5-Dimethyl-1-pyridin-4-ylmethyl-1H-pyrrole-3-carbaldehyde
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
883537-86-82,5-Dimethyl-1-pyridin-4-ylmethyl-1H-pyrrole-3-carbaldehyde2,5-dimethyl-1-(pyridin-4-ylmethyl)-1H-pyrrole-3-carbaldehyde2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carbaldehyde2,5-dimethyl-1-[(pyridin-4-yl)methyl]-1H-pyrrole-3-carbaldehydeDTXSID701177974MFCD08144831STK803281AKOS000103704VS-03425DB-355291CS-0358991
Show more names
AKOS BB-29722,5-Dimethyl-1-(4-pyridinylmethyl)-1H-pyrrole-3-carbaldehyde1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-(4-pyridinylmethyl)-
ST504015802,5-dimethyl-1-(4-pyridylmethyl)pyrrole-3-carbaldehyde2,5-Dimethyl-1-(4-pyridinylmethyl)-1H-pyrrole-3-carboxaldehyde
Database identifiers
- CAS
883537-86-8- PubChem CID
- 6500519
- DTXSID
DTXSID701177974
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 383.8 · 383.8±37.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 4.49 · 4.49±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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