4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile

C19H14FN3O — CID 75203979

IUPAC4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile
SMILESCc1ccc(Oc2ccc(F)c(Nc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C19H14FN3O/c1-13-2-8-16(9-3-13)24-18-11-10-17(20)19(23-18)22-15-6-4-14(12-21)5-7-15/h2-11H,1H3,(H,22,23)
InChIKeyPEBWDKWHTDDTPM-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.94
Rot. Bonds4

About 4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile

4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile (PubChem CID 75203979) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile
PubChem CID75203979
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile
SMILESCc1ccc(Oc2ccc(F)c(Nc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C19H14FN3O/c1-13-2-8-16(9-3-13)24-18-11-10-17(20)19(23-18)22-15-6-4-14(12-21)5-7-15/h2-11H,1H3,(H,22,23)
InChIKeyPEBWDKWHTDDTPM-UHFFFAOYSA-N
XLogP4.94
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile (CID 75203979) is 4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile is Cc1ccc(Oc2ccc(F)c(Nc3ccc(C#N)cc3)n2)cc1.
What is the InChIKey of 4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile?
The InChIKey is PEBWDKWHTDDTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-13-2-8-16(9-3-13)24-18-11-10-17(20)19(23-18)22-15-6-4-14(12-21)5-7-15/h2-11H,1H3,(H,22,23).
What are the key properties of 4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile?
4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile has a molecular weight of 319.34 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-6-(4-methylphenoxy)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 75203979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).