3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile

C14H11F2N3 — CID 78981152

IUPAC3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
SMILESN#Cc1cc(F)c(NCCc2ccccn2)c(F)c1
InChIInChI=1S/C14H11F2N3/c15-12-7-10(9-17)8-13(16)14(12)19-6-4-11-3-1-2-5-18-11/h1-3,5,7-8,19H,4,6H2
InChIKeyZCGFMIQGLHONHY-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.89
Rot. Bonds4

About 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile

3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile (PubChem CID 78981152) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
PubChem CID78981152
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
SMILESN#Cc1cc(F)c(NCCc2ccccn2)c(F)c1
InChIInChI=1S/C14H11F2N3/c15-12-7-10(9-17)8-13(16)14(12)19-6-4-11-3-1-2-5-18-11/h1-3,5,7-8,19H,4,6H2
InChIKeyZCGFMIQGLHONHY-UHFFFAOYSA-N
XLogP2.89
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile
CID 133498376
2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864008
4-(2-aminoethylamino)-3,5-difluorobenzonitrile
CID 81294761
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 106398946
2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 61076812
3,5-difluoro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 112675532
3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
CID 102817924
3-(2-pyridin-2-ylethylamino)phenol
CID 15597531
2-[(4-cyano-2-fluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111762470
4-[[2-(aminomethyl)phenyl]methylamino]-3,5-difluorobenzonitrile
CID 81294412
2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 143015963

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile?
The IUPAC name of 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile (CID 78981152) is 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile?
The canonical SMILES for 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile is N#Cc1cc(F)c(NCCc2ccccn2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile?
The InChIKey is ZCGFMIQGLHONHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-12-7-10(9-17)8-13(16)14(12)19-6-4-11-3-1-2-5-18-11/h1-3,5,7-8,19H,4,6H2.
What are the key properties of 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile?
3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile has a molecular weight of 259.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile is sourced from PubChem (CID 78981152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).