A1BE7

(3R)-3-ethyl-1-(5-fluoropyridin-2-yl)pyrrolidin-3-ol

Created:2024-11-04
Last modified:  2024-11-27

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count1
Bond Count31
Aromatic Bond Count6
2D diagram of A1BE7

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Chemical Component Summary

Name(3R)-3-ethyl-1-(5-fluoropyridin-2-yl)pyrrolidin-3-ol
Systematic Name (OpenEye OEToolkits)(3~{R})-3-ethyl-1-(5-fluoranylpyridin-2-yl)pyrrolidin-3-ol
FormulaC11 H15 F N2 O
Molecular Weight210.248
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1cnc(cc1)N1CCC(O)(C1)CC
SMILESCACTVS3.385CC[C]1(O)CCN(C1)c2ccc(F)cn2
SMILESOpenEye OEToolkits3.1.0.0CCC1(CCN(C1)c2ccc(cn2)F)O
Canonical SMILESCACTVS3.385 CC[C@@]1(O)CCN(C1)c2ccc(F)cn2
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC[C@]1(CCN(C1)c2ccc(cn2)F)O
InChIInChI1.06 InChI=1S/C11H15FN2O/c1-2-11(15)5-6-14(8-11)10-4-3-9(12)7-13-10/h3-4,7,15H,2,5-6,8H2,1H3/t11-/m1/s1
InChIKeyInChI1.06 OIWCZMXIAXESKW-LLVKDONJSA-N

Related Resource References

Resource NameReference
PubChem 129349204