2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H13F3N4 — CID 79876676

IUPAC2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCN(c1nc(C(F)(F)F)ccc1C#N)C1CNC1
InChIInChI=1S/C12H13F3N4/c1-2-19(9-6-17-7-9)11-8(5-16)3-4-10(18-11)12(13,14)15/h3-4,9,17H,2,6-7H2,1H3
InChIKeyOENUUUQQQBUMJM-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.77
Rot. Bonds3

About 2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79876676) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79876676
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCN(c1nc(C(F)(F)F)ccc1C#N)C1CNC1
InChIInChI=1S/C12H13F3N4/c1-2-19(9-6-17-7-9)11-8(5-16)3-4-10(18-11)12(13,14)15/h3-4,9,17H,2,6-7H2,1H3
InChIKeyOENUUUQQQBUMJM-UHFFFAOYSA-N
XLogP1.77
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79876676) is 2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CCN(c1nc(C(F)(F)F)ccc1C#N)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OENUUUQQQBUMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-2-19(9-6-17-7-9)11-8(5-16)3-4-10(18-11)12(13,14)15/h3-4,9,17H,2,6-7H2,1H3.
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 270.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79876676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).