3-[(2,5-Dimethylpyrrol-1-yl)methyl]pyridine
Basic information
- CAS
104439-81-8- Standard SMILES
Cc1ccc(C)n1Cc1cccnc1- InChIKey
SFDVOLAIVHKTCH-UHFFFAOYSA-N- Molecular formula
- C12H14N2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.11569846
Names & identifiers
- Preferred name
- 3-[(2,5-Dimethylpyrrol-1-yl)methyl]pyridine
- IUPAC
- 3-[(2,5-dimethylpyrrol-1-yl)methyl]pyridine
- English name
- 3-[(2,5-DIMETHYLPYRROL-1-YL)METHYL]-PYRIDINE
- Molecular formula
- C12H14N2
- Molecular weight
- 186.25
Names & synonyms
104439-81-83-((2,5-Dimethyl-1H-pyrrol-1-yl)methyl)pyridine3-[(2,5-dimethylpyrrol-1-yl)methyl]pyridine3-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]pyridine3-[(2,5-DIMETHYLPYRROL-1-YL)METHYL]-PYRIDINEDTXSID60358716STK728820AKOS000101332SB63063PYRIDINE, 3-[(2,5-DIMETHYLPYRROL-1-YL)METHYL]-Pyridine, 3-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]-
Database identifiers
- CAS
104439-81-8- PubChem CID
- 911384
- DTXSID
DTXSID60358716
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 318.2 · 318.2±32.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 4.17 · 4.17±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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