2-{4-[(5-Nitro-2-pyridyl)oxy]phenyl}acetonitrile
Basic information
- CAS
219928-36-6- Standard SMILES
N#CCc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1- InChIKey
ZGSWJTXAOTYDAE-UHFFFAOYSA-N- Molecular formula
- C13H9N3O3
- Average molar mass
- 255.23 g/mol
- Monoisotopic mass
- 255.06439116
Names & identifiers
- Preferred name
- 2-{4-[(5-Nitro-2-pyridyl)oxy]phenyl}acetonitrile
- IUPAC
- 2-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]acetonitrile
- English name
- 2-[4-[(5-Nitro-2-pyridyl)oxy]phenyl]acetonitrile
- Molecular formula
- C13H9N3O3
- Molecular weight
- 255.23
Names & synonyms
219928-36-62-{4-[(5-nitro-2-pyridyl)oxy]phenyl}acetonitrile2-[4-(5-nitropyridin-2-yl)oxyphenyl]acetonitrile2-[4-[(5-NITRO-2-PYRIDYL)OXY]PHENYL]ACETONITRILEMaybridge1_001674Oprea1_425553MLS000833718CHEMBL1584212HMS546E02DTXSID80384153HMS2805H13SMR000457239
Show more names
Benzeneacetonitrile, 4-[(5-nitro-2-pyridinyl)oxy]-
DB-011127{4-[(5-Nitropyridin-2-yl)oxy]phenyl}acetonitrile
Database identifiers
- CAS
219928-36-6- PubChem CID
- 2800239
- DTXSID
DTXSID80384153- ChEMBL
CHEMBL1584212
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility35.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 118 °C · 118 °C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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