Basic information
- CAS
27827-63-0- Standard SMILES
OC1CN=C(c2ccccn2)c2ccccc2OC1- InChIKey
IHBMBFLDCXYWHU-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.10552769
Names & identifiers
- Preferred name
- 3,4-Dihydro-3-hydroxy-6-(2-pyridyl)-1,5-benzoxazocine
- IUPAC
- 6-pyridin-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
- English name
- 3,4-Dihydro-6-(2-pyridyl)-2H-1,5-benzoxazocin-3-ol
- Molecular formula
- C15H14N2O2
- Molecular weight
- 254.28
Names & synonyms
3,4-Dihydro-3-hydroxy-6-(2-pyridyl)-1,5-benzoxazocine27827-63-0BRN 49155842H-1,5-Benzoxazocine, 3,4-dihydro-3-hydroxy-6-(2-pyridyl)-2H-1,5-BENZOXAZOCIN-3-OL, 3,4-DIHYDRO-6-(2-PYRIDYL)-DTXSID4013842013,4-Dihydro-6-(2-pyridyl)-2H-1,5-benzoxazocin-3-ol2H-1,5-Benzoxazocin-3-ol, 3,4-dihydro-6-(2-pyridinyl)-
Database identifiers
- CAS
27827-63-0- PubChem CID
- 34033
- DTXSID
DTXSID401384201- Nikkaji
- J41.898F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 430 · 430.0±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 13.77 · 13.77±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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