(2-Fluoro-5-methoxy-pyridin-3-yl)-acetonitrile
Completing data — refresh the page later to see the latest
Basic information
- CAS
1227581-06-7- Standard SMILES
COc1cnc(F)c(CC#N)c1- InChIKey
CRFALKKPNXXMKX-UHFFFAOYSA-N- Molecular formula
- C8H7FN2O
- Average molar mass
- 166.15 g/mol
- Monoisotopic mass
- 166.05424101
Names & identifiers
- Preferred name
- (2-Fluoro-5-methoxy-pyridin-3-yl)-acetonitrile
- IUPAC
- 2-(2-fluoro-5-methoxy-3-pyridinyl)acetonitrile
- English name
- (2-chloro-5-Methoxy pyridin-3-yl)Methanol
- Molecular formula
- C8H7FN2O
- Molecular weight
- 166.15
Names & synonyms
1227581-06-7(2-Fluoro-5-methoxy-pyridin-3-yl)-acetonitrile2-(2-fluoro-5-methoxypyridin-3-yl)acetonitrileMFCD16611237(2-chloro-5-Methoxy pyridin-3-yl)Methanol2-fluoro-5-methoxy-3-PyridineacetonitrileSB32031DB-347025CS-03426372-(2-fluoro-5-methoxy-3-pyridyl)acetonitrile3-Pyridineacetonitrile, 2-fluoro-5-methoxy-
Database identifiers
- CAS
1227581-06-7- PubChem CID
- 91828063
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 325.8 · 325.8±37.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- -4.11 · -4.11±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…