Basic information
- CAS
147699-68-1- Standard SMILES
N#Cc1cc(Oc2cccnc2)c(Oc2cccnc2)cc1C#N- InChIKey
OGVJGKXQSAQKMW-UHFFFAOYSA-N- Molecular formula
- C18H10N4O2
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.08037557
Names & identifiers
- Preferred name
- 4,5-Di(3-pyridinyloxy)phthalonitrile
- IUPAC
- 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile
- English name
- 4,5-Bis(3-pyridinyloxy)phthalonitrile
- Molecular formula
- C18H10N4O2
- Molecular weight
- 314.3
Names & synonyms
147699-68-14,5-Di(3-pyridinyloxy)phthalonitrile4,5-Bis[(pyridin-3-yl)oxy]benzene-1,2-dicarbonitrile4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile4,5-Bis(3-pyridinyloxy)phthalonitrileMaybridge3_003477Oprea1_592007MLS0005563114,5-bis(pyridin-3-yloxy)benzene-1,2-dicarbonitrileCHEMBL1543803DTXSID20347964OGVJGKXQSAQKMW-UHFFFAOYSA-N
Show more names
1,2-Benzenedicarbonitrile, 4,5-bis(3-pyridinyloxy)-
HMS1440O01HMS2334H074,5-bis(3-pyridyloxy)phthalonitrileCCG-49418STK727891AKOS005525517IDI1_0148644,5-Bis(3-pyridinyloxy)phthalonitrile #
Database identifiers
- CAS
147699-68-1- PubChem CID
- 628668
- DTXSID
DTXSID20347964- ChEMBL
CHEMBL1543803
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 496.7 · 496.7±45.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 4.24 · 4.24±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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