3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine

C14H17ClF3N3 — CID 62274622

IUPAC3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(N2CCCC2C2CCCN2)c(Cl)c1
InChIInChI=1S/C14H17ClF3N3/c15-10-7-9(14(16,17)18)8-20-13(10)21-6-2-4-12(21)11-3-1-5-19-11/h7-8,11-12,19H,1-6H2
InChIKeyCUCSWBQJGYRLPC-UHFFFAOYSA-N
MW319.76 g/mol
LogP3.47
Rot. Bonds2

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

3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 62274622) has the molecular formula C14H17ClF3N3 and a molecular weight of 319.76 g/mol. Its IUPAC name is 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID62274622
Molecular FormulaC14H17ClF3N3
Molecular Weight319.76 g/mol
Exact Mass319.11
IUPAC Name3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(N2CCCC2C2CCCN2)c(Cl)c1
InChIInChI=1S/C14H17ClF3N3/c15-10-7-9(14(16,17)18)8-20-13(10)21-6-2-4-12(21)11-3-1-5-19-11/h7-8,11-12,19H,1-6H2
InChIKeyCUCSWBQJGYRLPC-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine (CID 62274622) is 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(N2CCCC2C2CCCN2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is CUCSWBQJGYRLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3/c15-10-7-9(14(16,17)18)8-20-13(10)21-6-2-4-12(21)11-3-1-5-19-11/h7-8,11-12,19H,1-6H2.
What are the key properties of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 319.76 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 62274622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).