3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile

C11H10F3N3 — CID 1475875

IUPAC3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)8-5-10(9(6-15)16-7-8)17-3-1-2-4-17/h5,7H,1-4H2
InChIKeyLWSSGVODPGZOON-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.57
Rot. Bonds1

About 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile

3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 1475875) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID1475875
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)8-5-10(9(6-15)16-7-8)17-3-1-2-4-17/h5,7H,1-4H2
InChIKeyLWSSGVODPGZOON-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

Analyze 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 1475875) is 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)(F)F)cc1N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is LWSSGVODPGZOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)8-5-10(9(6-15)16-7-8)17-3-1-2-4-17/h5,7H,1-4H2.
What are the key properties of 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile?
3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-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 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 1475875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).