2,5-Di(pyridin-3-yl)phenol
Basic information
- CAS
1214334-20-9- Standard SMILES
Oc1cc(-c2cccnc2)ccc1-c1cccnc1- InChIKey
ZWGGOLBQVZVBIZ-UHFFFAOYSA-N- Molecular formula
- C16H12N2O
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.09496301
Names & identifiers
- Preferred name
- 2,5-Di(pyridin-3-yl)phenol
- IUPAC
- 2,5-dipyridin-3-ylphenol
- English name
- 2,5-dipyridin-3-ylphenol
- Molecular weight
- 248.28
Names & synonyms
2,5-Di(pyridin-3-yl)phenol1214334-20-92,5-Di-3-pyridinylphenolDTXSID5013130852,5-dipyridin-3-ylphenolPhenol, 2,5-di-3-pyridinyl-
Database identifiers
- CAS
1214334-20-9- PubChem CID
- 46316634
- DTXSID
DTXSID501313085
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 482.757 · 482.757±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.9 · 7.900±0.35(predicted)
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Compound notes
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