ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate

C11H12FNO2 — CID 71061238

IUPACethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(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
InChIKeyJJDUMAYPHAECTP-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.89
Rot. Bonds3

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

ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 71061238) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID71061238
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Nameethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(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
InChIKeyJJDUMAYPHAECTP-UHFFFAOYSA-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

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CID 10329646
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CID 166636110
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CID 238372
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CID 411803
CID 411803
CID 2783390
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CID 39235822
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CID 145991676
CID 145991676
CID 13737171
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CID 39043
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CID 50988790
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CID 63157509
CID 63157509

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate (CID 71061238) is ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1ccc(F)cn1.
What is the InChIKey of ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is JJDUMAYPHAECTP-UHFFFAOYSA-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.
What are the key properties of ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate?
ethyl 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 ethyl 2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 71061238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).