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

C11H10F3N3 — CID 10263709

IUPAC2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCCC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)9-4-3-8(7-15)10(16-9)17-5-1-2-6-17/h3-4H,1-2,5-6H2
InChIKeyITMGPFUYXCJRNF-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.57
Rot. Bonds1

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

2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 10263709) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID10263709
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCCC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)9-4-3-8(7-15)10(16-9)17-5-1-2-6-17/h3-4H,1-2,5-6H2
InChIKeyITMGPFUYXCJRNF-UHFFFAOYSA-N
XLogP2.57
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 10263709) is 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ITMGPFUYXCJRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)9-4-3-8(7-15)10(16-9)17-5-1-2-6-17/h3-4H,1-2,5-6H2.
What are the key properties of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 241.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10263709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).