3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

C12H17FN2O — CID 54384732

IUPAC3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCCc1cc(OC[C@@H]2CCCN2)cnc1F
InChIInChI=1S/C12H17FN2O/c1-2-9-6-11(7-15-12(9)13)16-8-10-4-3-5-14-10/h6-7,10,14H,2-5,8H2,1H3/t10-/m0/s1
InChIKeyVCKNGNJXLZCTKD-JTQLQIEISA-N
MW224.28 g/mol
LogP1.91
Rot. Bonds4

About 3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 54384732) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID54384732
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCCc1cc(OC[C@@H]2CCCN2)cnc1F
InChIInChI=1S/C12H17FN2O/c1-2-9-6-11(7-15-12(9)13)16-8-10-4-3-5-14-10/h6-7,10,14H,2-5,8H2,1H3/t10-/m0/s1
InChIKeyVCKNGNJXLZCTKD-JTQLQIEISA-N
XLogP1.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54387208
2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile
CID 54045919
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57313575
3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
CID 54543306
N,2-dimethyl-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 23227060
5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine
CID 45116350
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
CID 22961876
N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54027066
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 11197577

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 54384732) is 3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is CCc1cc(OC[C@@H]2CCCN2)cnc1F.
What is the InChIKey of 3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is VCKNGNJXLZCTKD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-9-6-11(7-15-12(9)13)16-8-10-4-3-5-14-10/h6-7,10,14H,2-5,8H2,1H3/t10-/m0/s1.
What are the key properties of 3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 224.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54384732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).