2-Amino-3-(2-fluorobenzyloxy)pyridine
Basic information
- CAS
79707-17-8- Standard SMILES
Nc1ncccc1OCc1ccccc1F- InChIKey
XEXRXNTWCCSPGJ-UHFFFAOYSA-N- Molecular formula
- C12H11FN2O
- Average molar mass
- 218.23 g/mol
- Monoisotopic mass
- 218.08554114
Names & identifiers
- Preferred name
- 2-Amino-3-(2-fluorobenzyloxy)pyridine
- IUPAC
- 3-[(2-fluorophenyl)methoxy]pyridin-2-amine
- English name
- 2-amino-3-(2-fluorobenzyloxy)pyridine
- Molecular formula
- C12H11FN2O
- Molecular weight
- 218.23
Names & synonyms
79707-17-83-[(2-fluorophenyl)methoxy]pyridin-2-amine2-Amino-3-(2-fluorobenzyloxy)pyridine2-Pyridinamine, 3-[(2-fluorophenyl)methoxy]-3-((2-Fluorobenzyl)oxy)pyridin-2-amineSCHEMBL6079375DTXSID70437203XEXRXNTWCCSPGJ-UHFFFAOYSA-NMFCD11195109A1-17746
Database identifiers
- CAS
79707-17-8- PubChem CID
- 10242491
- DTXSID
DTXSID70437203
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 91 · 91-93 °C(Solv: ethanol (64-17-5))
- Boiling point
- 361.7 · 361.7±32.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 8.16 · 8.16±0.10(Predicted)
Related reactions
7 records
Compound notes
Loading…