2-(4-fluorophenoxy)pyridine-4-carbonitrile

C12H7FN2O — CID 24695486

IUPAC2-(4-fluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C12H7FN2O/c13-10-1-3-11(4-2-10)16-12-7-9(8-14)5-6-15-12/h1-7H
InChIKeyMEZPLJLLXGQTME-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.88
Rot. Bonds2

About 2-(4-fluorophenoxy)pyridine-4-carbonitrile

2-(4-fluorophenoxy)pyridine-4-carbonitrile (PubChem CID 24695486) has the molecular formula C12H7FN2O and a molecular weight of 214.20 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenoxy)pyridine-4-carbonitrile
PubChem CID24695486
Molecular FormulaC12H7FN2O
Molecular Weight214.20 g/mol
Exact Mass214.05
IUPAC Name2-(4-fluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C12H7FN2O/c13-10-1-3-11(4-2-10)16-12-7-9(8-14)5-6-15-12/h1-7H
InChIKeyMEZPLJLLXGQTME-UHFFFAOYSA-N
XLogP2.88
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-fluorophenoxy)pyridine-4-carbonitrile (CID 24695486) is 2-(4-fluorophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-fluorophenoxy)pyridine-4-carbonitrile is N#Cc1ccnc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)pyridine-4-carbonitrile?
The InChIKey is MEZPLJLLXGQTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O/c13-10-1-3-11(4-2-10)16-12-7-9(8-14)5-6-15-12/h1-7H.
What are the key properties of 2-(4-fluorophenoxy)pyridine-4-carbonitrile?
2-(4-fluorophenoxy)pyridine-4-carbonitrile has a molecular weight of 214.20 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 24695486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).