3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile

C14H12FN3 — CID 102815363

IUPAC3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile
SMILESCC(Nc1cc(F)cc(C#N)c1)c1ccccn1
InChIInChI=1S/C14H12FN3/c1-10(14-4-2-3-5-17-14)18-13-7-11(9-16)6-12(15)8-13/h2-8,10,18H,1H3
InChIKeyFEPQROLLGSRPED-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.27
Rot. Bonds3

About 3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile

3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile (PubChem CID 102815363) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile
PubChem CID102815363
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile
SMILESCC(Nc1cc(F)cc(C#N)c1)c1ccccn1
InChIInChI=1S/C14H12FN3/c1-10(14-4-2-3-5-17-14)18-13-7-11(9-16)6-12(15)8-13/h2-8,10,18H,1H3
InChIKeyFEPQROLLGSRPED-UHFFFAOYSA-N
XLogP3.27
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113347242
3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 102815738
2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 113295538
3,5-difluoro-4-[(1-pyridin-2-ylethylamino)methyl]benzonitrile
CID 107037642
3-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)aniline
CID 60875745
3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 60929772
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
CID 43767322
[(1S)-1-pyridin-2-ylethyl]cyanamide
CID 81401683
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
3-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113354964
3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 102815767

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile?
The IUPAC name of 3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile (CID 102815363) is 3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile?
The canonical SMILES for 3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile is CC(Nc1cc(F)cc(C#N)c1)c1ccccn1.
What is the InChIKey of 3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile?
The InChIKey is FEPQROLLGSRPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-10(14-4-2-3-5-17-14)18-13-7-11(9-16)6-12(15)8-13/h2-8,10,18H,1H3.
What are the key properties of 3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile?
3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile has a molecular weight of 241.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile is sourced from PubChem (CID 102815363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).