2-Phenoxy-4-(phenylamino)pyridine-3-carbonitrile
Basic information
- CAS
147992-97-0- Standard SMILES
N#Cc1c(Nc2ccccc2)ccnc1Oc1ccccc1- InChIKey
JWJFQDGLIHDGJE-UHFFFAOYSA-N- Molecular formula
- C18H13N3O
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.10586205
Names & identifiers
- Preferred name
- 2-Phenoxy-4-(phenylamino)pyridine-3-carbonitrile
- IUPAC
- 4-anilino-2-phenoxypyridine-3-carbonitrile
- English name
- 4-anilino-2-phenoxypyridine-3-carbonitrile
- Molecular formula
- C18H13N3O
- Molecular weight
- 287.32
Names & synonyms
2-phenoxy-4-(phenylamino)pyridine-3-carbonitrileOprea1_345404STK900170AKOS0220936792-phenoxy-4-(phenylamino)nicotinonitrile3-cyano-4-phenylamino-2-phenoxypyridine4-ANILINO-2-PHENOXYNICOTINONITRILESR-01000496144SR-01000496144-14-anilino-2-phenoxypyridine-3-carbonitrile3-Pyridinecarbonitrile, 2-phenoxy-4-(phenylamino)-
Database identifiers
- CAS
147992-97-0- PubChem CID
- 854082
- EC Number
- 143-870-8
- Nikkaji
- J541.704J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 451.9 · 451.9±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 0.69 · 0.69±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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