2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
Basic information
- CAS
866019-10-5- Standard SMILES
CCOc1ncccc1C(=O)Nc1ccc(F)cc1- InChIKey
POAXIHNCEUFUCA-UHFFFAOYSA-N- Molecular formula
- C14H13FN2O2
- Average molar mass
- 260.26 g/mol
- Monoisotopic mass
- 260.09610582
Names & identifiers
- Preferred name
- 2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
- IUPAC
- 2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
- English name
- 2-Ethoxy-N-(4-fluorophenyl)nicotinamide
- Molecular formula
- C14H13FN2O2
- Molecular weight
- 260.26
Names & synonyms
2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide866019-10-52-ethoxy-N-(4-fluorophenyl)nicotinamideMFCD03787342MLS000763818CHEMBL1542468DTXSID801323730HMS2709H24AKOS005091696SMR0003364494W-08233-Pyridinecarboxamide, 2-ethoxy-N-(4-fluorophenyl)-
Database identifiers
- CAS
866019-10-5- PubChem CID
- 1478065
- DTXSID
DTXSID801323730- ChEMBL
CHEMBL1542468
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
Solubility13.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 318.2 · 318.2±37.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 10.43 · 10.43±0.70(Predicted)
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Compound notes
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