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

C13H6FN3O — CID 107664811

IUPAC2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(C#N)cc2F)c1
InChIInChI=1S/C13H6FN3O/c14-11-5-9(7-15)1-2-12(11)18-13-6-10(8-16)3-4-17-13/h1-6H
InChIKeyGJRXXGFCCQZDPK-UHFFFAOYSA-N
MW239.21 g/mol
LogP2.76
Rot. Bonds2

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

2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile (PubChem CID 107664811) has the molecular formula C13H6FN3O and a molecular weight of 239.21 g/mol. Its IUPAC name is 2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
PubChem CID107664811
Molecular FormulaC13H6FN3O
Molecular Weight239.21 g/mol
Exact Mass239.05
IUPAC Name2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(C#N)cc2F)c1
InChIInChI=1S/C13H6FN3O/c14-11-5-9(7-15)1-2-12(11)18-13-6-10(8-16)3-4-17-13/h1-6H
InChIKeyGJRXXGFCCQZDPK-UHFFFAOYSA-N
XLogP2.76
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[(2-fluoro-4-pyridinyl)oxy]benzonitrile
CID 107664694
3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 107669861
2-(4-fluorophenoxy)pyridine-4-carbonitrile
CID 24695486
2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
CID 24690877
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303
2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile
CID 141181590
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766
2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 60869335
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 107670102
3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile
CID 107665502
2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 24701489

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile (CID 107664811) is 2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile is N#Cc1ccnc(Oc2ccc(C#N)cc2F)c1.
What is the InChIKey of 2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile?
The InChIKey is GJRXXGFCCQZDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FN3O/c14-11-5-9(7-15)1-2-12(11)18-13-6-10(8-16)3-4-17-13/h1-6H.
What are the key properties of 2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile?
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile has a molecular weight of 239.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107664811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).