4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile

C15H11FN4 — CID 107788261

IUPAC4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile
SMILESCC(Nc1ccc(C#N)c(C#N)c1)c1ccc(F)cn1
InChIInChI=1S/C15H11FN4/c1-10(15-5-3-13(16)9-19-15)20-14-4-2-11(7-17)12(6-14)8-18/h2-6,9-10,20H,1H3
InChIKeyNCAVIKNELCTAHX-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.14
Rot. Bonds3

About 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile

4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile (PubChem CID 107788261) has the molecular formula C15H11FN4 and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile
PubChem CID107788261
Molecular FormulaC15H11FN4
Molecular Weight266.28 g/mol
Exact Mass266.10
IUPAC Name4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile
SMILESCC(Nc1ccc(C#N)c(C#N)c1)c1ccc(F)cn1
InChIInChI=1S/C15H11FN4/c1-10(15-5-3-13(16)9-19-15)20-14-4-2-11(7-17)12(6-14)8-18/h2-6,9-10,20H,1H3
InChIKeyNCAVIKNELCTAHX-UHFFFAOYSA-N
XLogP3.14
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile (CID 107788261) is 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile is CC(Nc1ccc(C#N)c(C#N)c1)c1ccc(F)cn1.
What is the InChIKey of 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile?
The InChIKey is NCAVIKNELCTAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4/c1-10(15-5-3-13(16)9-19-15)20-14-4-2-11(7-17)12(6-14)8-18/h2-6,9-10,20H,1H3.
What are the key properties of 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile?
4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile has a molecular weight of 266.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107788261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).