ethyl 2-(3,5-difluoro-2-pyridinyl)acetate

C9H9F2NO2 — CID 57447460

IUPACethyl 2-(3,5-difluoro-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncc(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-2-14-9(13)4-8-7(11)3-6(10)5-12-8/h3,5H,2,4H2,1H3
InChIKeyZFTSWXRWTYKRLS-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.47
Rot. Bonds3

About ethyl 2-(3,5-difluoro-2-pyridinyl)acetate

ethyl 2-(3,5-difluoro-2-pyridinyl)acetate (PubChem CID 57447460) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is ethyl 2-(3,5-difluoro-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-difluoro-2-pyridinyl)acetate
PubChem CID57447460
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Nameethyl 2-(3,5-difluoro-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncc(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-2-14-9(13)4-8-7(11)3-6(10)5-12-8/h3,5H,2,4H2,1H3
InChIKeyZFTSWXRWTYKRLS-UHFFFAOYSA-N
XLogP1.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-difluoro-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3,5-difluoro-2-pyridinyl)acetate (CID 57447460) is ethyl 2-(3,5-difluoro-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3,5-difluoro-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3,5-difluoro-2-pyridinyl)acetate is CCOC(=O)Cc1ncc(F)cc1F.
What is the InChIKey of ethyl 2-(3,5-difluoro-2-pyridinyl)acetate?
The InChIKey is ZFTSWXRWTYKRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-2-14-9(13)4-8-7(11)3-6(10)5-12-8/h3,5H,2,4H2,1H3.
What are the key properties of ethyl 2-(3,5-difluoro-2-pyridinyl)acetate?
ethyl 2-(3,5-difluoro-2-pyridinyl)acetate has a molecular weight of 201.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-difluoro-2-pyridinyl)acetate is sourced from PubChem (CID 57447460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).