3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine

C15H15FN2O — CID 58191778

IUPAC3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine
SMILESFc1ccc(Oc2cncc([C@@H]3CCCN3)c2)cc1
InChIInChI=1S/C15H15FN2O/c16-12-3-5-13(6-4-12)19-14-8-11(9-17-10-14)15-2-1-7-18-15/h3-6,8-10,15,18H,1-2,7H2/t15-/m0/s1
InChIKeyXDXRYRDPSRKQRJ-HNNXBMFYSA-N
MW258.30 g/mol
LogP3.44
Rot. Bonds3

About 3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine

3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine (PubChem CID 58191778) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine
PubChem CID58191778
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine
SMILESFc1ccc(Oc2cncc([C@@H]3CCCN3)c2)cc1
InChIInChI=1S/C15H15FN2O/c16-12-3-5-13(6-4-12)19-14-8-11(9-17-10-14)15-2-1-7-18-15/h3-6,8-10,15,18H,1-2,7H2/t15-/m0/s1
InChIKeyXDXRYRDPSRKQRJ-HNNXBMFYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine (CID 58191778) is 3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine is Fc1ccc(Oc2cncc([C@@H]3CCCN3)c2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine?
The InChIKey is XDXRYRDPSRKQRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-12-3-5-13(6-4-12)19-14-8-11(9-17-10-14)15-2-1-7-18-15/h3-6,8-10,15,18H,1-2,7H2/t15-/m0/s1.
What are the key properties of 3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine?
3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine has a molecular weight of 258.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 58191778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).