5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile

C11H13F3N4 — CID 55011012

IUPAC5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
SMILESCC(C)N(CC(F)(F)F)c1ncc(N)cc1C#N
InChIInChI=1S/C11H13F3N4/c1-7(2)18(6-11(12,13)14)10-8(4-15)3-9(16)5-17-10/h3,5,7H,6,16H2,1-2H3
InChIKeyCFOLAJFFLUDBAR-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.31
Rot. Bonds3

About 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile

5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile (PubChem CID 55011012) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
PubChem CID55011012
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
SMILESCC(C)N(CC(F)(F)F)c1ncc(N)cc1C#N
InChIInChI=1S/C11H13F3N4/c1-7(2)18(6-11(12,13)14)10-8(4-15)3-9(16)5-17-10/h3,5,7H,6,16H2,1-2H3
InChIKeyCFOLAJFFLUDBAR-UHFFFAOYSA-N
XLogP2.31
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile (CID 55011012) is 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile is CC(C)N(CC(F)(F)F)c1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
The InChIKey is CFOLAJFFLUDBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-7(2)18(6-11(12,13)14)10-8(4-15)3-9(16)5-17-10/h3,5,7H,6,16H2,1-2H3.
What are the key properties of 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile has a molecular weight of 258.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 55011012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).