2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H15F3N4 — CID 78089600

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(C)C1CCN(c2nc(C(F)(F)F)ccc2C#N)C1
InChIInChI=1S/C13H15F3N4/c1-19(2)10-5-6-20(8-10)12-9(7-17)3-4-11(18-12)13(14,15)16/h3-4,10H,5-6,8H2,1-2H3
InChIKeyLQCQBHFAIMBHMF-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.11
Rot. Bonds2

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78089600) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78089600
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(C)C1CCN(c2nc(C(F)(F)F)ccc2C#N)C1
InChIInChI=1S/C13H15F3N4/c1-19(2)10-5-6-20(8-10)12-9(7-17)3-4-11(18-12)13(14,15)16/h3-4,10H,5-6,8H2,1-2H3
InChIKeyLQCQBHFAIMBHMF-UHFFFAOYSA-N
XLogP2.11
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78089600) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is CN(C)C1CCN(c2nc(C(F)(F)F)ccc2C#N)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is LQCQBHFAIMBHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-19(2)10-5-6-20(8-10)12-9(7-17)3-4-11(18-12)13(14,15)16/h3-4,10H,5-6,8H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 284.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78089600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).