2-(4-Fluorophenoxy)-5-nitropyridine
Basic information
- CAS
31011-26-4- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)nc1- InChIKey
WGCAKTXIGRVECX-UHFFFAOYSA-N- Molecular formula
- C11H7FN2O3
- Average molar mass
- 234.18 g/mol
- Monoisotopic mass
- 234.04407025
Names & identifiers
- Preferred name
- 2-(4-Fluorophenoxy)-5-nitropyridine
- IUPAC
- 2-(4-fluorophenoxy)-5-nitropyridine
- English name
- 2-(4-Fluoro-phenoxy)-5-nitro-pyridine
- Molecular formula
- C11H7FN2O3
- Molecular weight
- 234.18
Names & synonyms
2-(4-Fluorophenoxy)-5-nitropyridine31011-26-42-(4-Fluoro-phenoxy)-5-nitro-pyridineCHEMBL4777949MFCD00067764NSC131634SCHEMBL9449124DTXSID80299617WGCAKTXIGRVECX-UHFFFAOYSA-N2-[p-Fluorophenoxy]-5-nitropyridineAB3806BDBM50559486
Show more names
2-(4-fluorophenoxy)-5-nitropyriMidinePyridine, 2-(4-fluorophenoxy)-5-nitro-
SBB0982232-(4-fluorophenoxy)-5-nitro-pyridineNSC-1316342-(4-Fluorophenoxy)-5-nitropyridine #DB-291831CS-0364587F033310
Database identifiers
- CAS
31011-26-4- PubChem CID
- 280199
- DTXSID
DTXSID80299617- ChEMBL
CHEMBL4777949
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 332.5 · 332.5±32.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- pka
- 1.75 · 1.75±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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