trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate

C11H12FNO2 — CID 118512749

IUPACtrans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1ccc(F)cn1
InChIInChI=1S/C11H12FNO2/c1-2-15-11(14)9-5-8(9)10-4-3-7(12)6-13-10/h3-4,6,8-9H,2,5H2,1H3/t8-,9-/m1/s1
InChIKeyJJDUMAYPHAECTP-RKDXNWHRSA-N
MW209.22 g/mol
LogP1.89
Rot. Bonds3

About trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 118512749) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID118512749
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Nametrans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1ccc(F)cn1
InChIInChI=1S/C11H12FNO2/c1-2-15-11(14)9-5-8(9)10-4-3-7(12)6-13-10/h3-4,6,8-9H,2,5H2,1H3/t8-,9-/m1/s1
InChIKeyJJDUMAYPHAECTP-RKDXNWHRSA-N
XLogP1.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 142405028
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
ethyl 2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 153293789
ethyl 2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylate
CID 135262621
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
ethyl (1R)-2-[5-[(5-bromo-2,4-difluorophenyl)methylamino]-2-pyridinyl]cyclopropane-1-carboxylate
CID 142404959
trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate
CID 142405041
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
CID 129268949
ethyl 2-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylate
CID 87938295
ethyl 2-(2-chloro-4-fluorophenyl)cyclopropane-1-carboxylate
CID 67292186
trans-ethyl (1R,2R)-2-(2-fluoro-4-pyridinyl)cyclopropane-1-carboxylate
CID 90220502
butyl (3R,4R)-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 70915957

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate (CID 118512749) is trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)cn1.
What is the InChIKey of trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is JJDUMAYPHAECTP-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-15-11(14)9-5-8(9)10-4-3-7(12)6-13-10/h3-4,6,8-9H,2,5H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate has a molecular weight of 209.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 118512749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).