3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile

C13H10FN3O — CID 107669732

IUPAC3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile
SMILESCNc1cncc(Oc2ccc(C#N)cc2F)c1
InChIInChI=1S/C13H10FN3O/c1-16-10-5-11(8-17-7-10)18-13-3-2-9(6-15)4-12(13)14/h2-5,7-8,16H,1H3
InChIKeyJATJZDROPQDTLN-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.93
Rot. Bonds3

About 3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile

3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile (PubChem CID 107669732) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile
PubChem CID107669732
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile
SMILESCNc1cncc(Oc2ccc(C#N)cc2F)c1
InChIInChI=1S/C13H10FN3O/c1-16-10-5-11(8-17-7-10)18-13-3-2-9(6-15)4-12(13)14/h2-5,7-8,16H,1H3
InChIKeyJATJZDROPQDTLN-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 3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile (CID 107669732) is 3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile is CNc1cncc(Oc2ccc(C#N)cc2F)c1.
What is the InChIKey of 3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile?
The InChIKey is JATJZDROPQDTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-16-10-5-11(8-17-7-10)18-13-3-2-9(6-15)4-12(13)14/h2-5,7-8,16H,1H3.
What are the key properties of 3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile?
3-fluoro-4-[[5-(methylamino)-3-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 3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 107669732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).