2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile

C13H9FN2O — CID 61229739

IUPAC2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile
SMILESN#CCc1ccc(Oc2cccc(F)n2)cc1
InChIInChI=1S/C13H9FN2O/c14-12-2-1-3-13(16-12)17-11-6-4-10(5-7-11)8-9-15/h1-7H,8H2
InChIKeyBSNOGIHSILSJHU-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.08
Rot. Bonds3

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

2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile (PubChem CID 61229739) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile
PubChem CID61229739
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile
SMILESN#CCc1ccc(Oc2cccc(F)n2)cc1
InChIInChI=1S/C13H9FN2O/c14-12-2-1-3-13(16-12)17-11-6-4-10(5-7-11)8-9-15/h1-7H,8H2
InChIKeyBSNOGIHSILSJHU-UHFFFAOYSA-N
XLogP3.08
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61227794
2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]ethanol
CID 107708756
2-fluoro-6-(4-propoxyphenoxy)pyridine
CID 61229354
2-fluoro-6-(4-nitrophenoxy)pyridine
CID 21391501
2-[4-[2-(1-aminoethyl)-3-fluorophenoxy]phenyl]acetonitrile
CID 43189143
2-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetonitrile
CID 102715194
4-[(6-fluoro-2-pyridinyl)oxy]benzamide
CID 61229161
2-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]acetonitrile
CID 114562023
2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile
CID 114766790
4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile
CID 59255294
2-[4-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]phenyl]acetonitrile
CID 43285331
2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61229937

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile (CID 61229739) is 2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile is N#CCc1ccc(Oc2cccc(F)n2)cc1.
What is the InChIKey of 2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile?
The InChIKey is BSNOGIHSILSJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-12-2-1-3-13(16-12)17-11-6-4-10(5-7-11)8-9-15/h1-7H,8H2.
What are the key properties of 2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile?
2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile has a molecular weight of 228.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile is sourced from PubChem (CID 61229739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).