4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile

C12H7FN2O — CID 61227794

IUPAC4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2cccc(F)n2)cc1
InChIInChI=1S/C12H7FN2O/c13-11-2-1-3-12(15-11)16-10-6-4-9(8-14)5-7-10/h1-7H
InChIKeyXMUZBESJUVNCMX-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.88
Rot. Bonds2

About 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile

4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile (PubChem CID 61227794) has the molecular formula C12H7FN2O and a molecular weight of 214.20 g/mol. Its IUPAC name is 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
PubChem CID61227794
Molecular FormulaC12H7FN2O
Molecular Weight214.20 g/mol
Exact Mass214.05
IUPAC Name4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2cccc(F)n2)cc1
InChIInChI=1S/C12H7FN2O/c13-11-2-1-3-12(15-11)16-10-6-4-9(8-14)5-7-10/h1-7H
InChIKeyXMUZBESJUVNCMX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile
CID 61229739
4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile
CID 59255294
2-fluoro-6-(4-propoxyphenoxy)pyridine
CID 61229354
2-fluoro-6-(4-nitrophenoxy)pyridine
CID 21391501
4-[(6-fluoro-2-pyridinyl)oxy]benzamide
CID 61229161
2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]ethanol
CID 107708756
2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61229937
4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
CID 10717549
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 162501099
6-(4-hydroxyphenoxy)pyridine-2-carbonitrile
CID 64588999
6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile
CID 133392727
4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile
CID 10847634

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile (CID 61227794) is 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile is N#Cc1ccc(Oc2cccc(F)n2)cc1.
What is the InChIKey of 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile?
The InChIKey is XMUZBESJUVNCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O/c13-11-2-1-3-12(15-11)16-10-6-4-9(8-14)5-7-10/h1-7H.
What are the key properties of 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile?
4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile 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 4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 61227794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).