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

C13H10FN3O — CID 80873989

IUPAC2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile
SMILESCNc1cccc(Oc2cccc(F)c2C#N)n1
InChIInChI=1S/C13H10FN3O/c1-16-12-6-3-7-13(17-12)18-11-5-2-4-10(14)9(11)8-15/h2-7H,1H3,(H,16,17)
InChIKeyZXUGWWBLNOCLOB-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.93
Rot. Bonds3

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

2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile (PubChem CID 80873989) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile
PubChem CID80873989
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile
SMILESCNc1cccc(Oc2cccc(F)c2C#N)n1
InChIInChI=1S/C13H10FN3O/c1-16-12-6-3-7-13(17-12)18-11-5-2-4-10(14)9(11)8-15/h2-7H,1H3,(H,16,17)
InChIKeyZXUGWWBLNOCLOB-UHFFFAOYSA-N
XLogP2.93
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile (CID 80873989) is 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile is CNc1cccc(Oc2cccc(F)c2C#N)n1.
What is the InChIKey of 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile?
The InChIKey is ZXUGWWBLNOCLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-16-12-6-3-7-13(17-12)18-11-5-2-4-10(14)9(11)8-15/h2-7H,1H3,(H,16,17).
What are the key properties of 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile?
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile has a molecular weight of 243.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 80873989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).