3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine

C10H10ClF3N2O — CID 71302928

IUPAC3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(O[C@H]2CCNC2)c(Cl)c1
InChIInChI=1S/C10H10ClF3N2O/c11-8-3-6(10(12,13)14)4-16-9(8)17-7-1-2-15-5-7/h3-4,7,15H,1-2,5H2/t7-/m0/s1
InChIKeyMYTGJJYAPLBTTJ-ZETCQYMHSA-N
MW266.65 g/mol
LogP2.49
Rot. Bonds2

About 3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine

3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 71302928) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID71302928
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(O[C@H]2CCNC2)c(Cl)c1
InChIInChI=1S/C10H10ClF3N2O/c11-8-3-6(10(12,13)14)4-16-9(8)17-7-1-2-15-5-7/h3-4,7,15H,1-2,5H2/t7-/m0/s1
InChIKeyMYTGJJYAPLBTTJ-ZETCQYMHSA-N
XLogP2.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine 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-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (CID 71302928) is 3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(O[C@H]2CCNC2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is MYTGJJYAPLBTTJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-8-3-6(10(12,13)14)4-16-9(8)17-7-1-2-15-5-7/h3-4,7,15H,1-2,5H2/t7-/m0/s1.
What are the key properties of 3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 266.65 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3S)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 71302928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).