Basic information
- CAS
99902-74-6- Standard SMILES
N#Cc1ccc(Oc2ccc(F)cc2)nc1- InChIKey
MKYJXKKMJYOEGC-UHFFFAOYSA-N- Molecular formula
- C12H7FN2O
- Average molar mass
- 214.19 g/mol
- Monoisotopic mass
- 214.05424101
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-
- IUPAC
- 6-(4-fluorophenoxy)pyridine-3-carbonitrile
Names & synonyms
6-(4-fluorophenoxy)pyridine-3-carbonitrile99902-74-63-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-6-(4-fluorophenoxy)nicotinonitrileCHEMBL343162SCHEMBL6160870DTXSID50244316AKOS000179338EBC-656417EN300-97034Z281801612
Database identifiers
- CAS
99902-74-6- PubChem CID
- 514830
- DTXSID
DTXSID50244316- ChEMBL
CHEMBL343162
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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