2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine

C11H17FN2 — CID 88982622

IUPAC2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine
SMILESCCC1N=CC(F)=CC1[C@H]1CCCN1
InChIInChI=1S/C11H17FN2/c1-2-10-9(6-8(12)7-14-10)11-4-3-5-13-11/h6-7,9-11,13H,2-5H2,1H3/t9?,10?,11-/m1/s1
InChIKeyJSEGZAXRNRNINX-VQXHTEKXSA-N
MW196.27 g/mol
LogP2.07
Rot. Bonds2

About 2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine

2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine (PubChem CID 88982622) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine
PubChem CID88982622
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine
SMILESCCC1N=CC(F)=CC1[C@H]1CCCN1
InChIInChI=1S/C11H17FN2/c1-2-10-9(6-8(12)7-14-10)11-4-3-5-13-11/h6-7,9-11,13H,2-5H2,1H3/t9?,10?,11-/m1/s1
InChIKeyJSEGZAXRNRNINX-VQXHTEKXSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine?
The IUPAC name of 2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine (CID 88982622) is 2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine.
What is the SMILES notation for 2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine?
The canonical SMILES for 2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine is CCC1N=CC(F)=CC1[C@H]1CCCN1.
What is the InChIKey of 2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine?
The InChIKey is JSEGZAXRNRNINX-VQXHTEKXSA-N. The full InChI is InChI=1S/C11H17FN2/c1-2-10-9(6-8(12)7-14-10)11-4-3-5-13-11/h6-7,9-11,13H,2-5H2,1H3/t9?,10?,11-/m1/s1.
What are the key properties of 2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine?
2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine has a molecular weight of 196.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine is sourced from PubChem (CID 88982622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).