5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile

C8H7F3N4 — CID 103467321

IUPAC5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC(F)(F)F)c(N)c1
InChIInChI=1S/C8H7F3N4/c9-8(10,11)4-15-7-6(13)1-5(2-12)3-14-7/h1,3H,4,13H2,(H,14,15)
InChIKeyGOLKHWBWFJPWTN-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.51
Rot. Bonds2

About 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile

5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile (PubChem CID 103467321) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
PubChem CID103467321
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC(F)(F)F)c(N)c1
InChIInChI=1S/C8H7F3N4/c9-8(10,11)4-15-7-6(13)1-5(2-12)3-14-7/h1,3H,4,13H2,(H,14,15)
InChIKeyGOLKHWBWFJPWTN-UHFFFAOYSA-N
XLogP1.51
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile 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

5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile
CID 106167287
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468530
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093
5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 103468421
5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile
CID 103469139
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
CID 103469065

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile (CID 103467321) is 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile is N#Cc1cnc(NCC(F)(F)F)c(N)c1.
What is the InChIKey of 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile?
The InChIKey is GOLKHWBWFJPWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c9-8(10,11)4-15-7-6(13)1-5(2-12)3-14-7/h1,3H,4,13H2,(H,14,15).
What are the key properties of 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile?
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile has a molecular weight of 216.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 103467321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).