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

C12H6F2N2O — CID 61229937

IUPAC2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1c(F)cccc1Oc1cccc(F)n1
InChIInChI=1S/C12H6F2N2O/c13-9-3-1-4-10(8(9)7-15)17-12-6-2-5-11(14)16-12/h1-6H
InChIKeyLZLZJDRGKVBAJY-UHFFFAOYSA-N
MW232.19 g/mol
LogP3.02
Rot. Bonds2

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

2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile (PubChem CID 61229937) has the molecular formula C12H6F2N2O and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
PubChem CID61229937
Molecular FormulaC12H6F2N2O
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1c(F)cccc1Oc1cccc(F)n1
InChIInChI=1S/C12H6F2N2O/c13-9-3-1-4-10(8(9)7-15)17-12-6-2-5-11(14)16-12/h1-6H
InChIKeyLZLZJDRGKVBAJY-UHFFFAOYSA-N
XLogP3.02
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 53.02
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

2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile
CID 80873989
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121
2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile
CID 80921001
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile
CID 83153340
2-[2-amino-6-(methylamino)pyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80874760
2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80875389
4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61227794
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 80966111
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile
CID 63867087
2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 133391490

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile (CID 61229937) is 2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile is N#Cc1c(F)cccc1Oc1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile?
The InChIKey is LZLZJDRGKVBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2O/c13-9-3-1-4-10(8(9)7-15)17-12-6-2-5-11(14)16-12/h1-6H.
What are the key properties of 2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile?
2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile has a molecular weight of 232.19 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 61229937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).