ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate

C10H9FN2O2 — CID 133097564

IUPACethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(C#N)ncc1F
InChIInChI=1S/C10H9FN2O2/c1-2-15-10(14)4-7-3-8(5-12)13-6-9(7)11/h3,6H,2,4H2,1H3
InChIKeyWZIHWYZHFQELIT-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.20
Rot. Bonds3

About ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate

ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate (PubChem CID 133097564) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate
PubChem CID133097564
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Nameethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(C#N)ncc1F
InChIInChI=1S/C10H9FN2O2/c1-2-15-10(14)4-7-3-8(5-12)13-6-9(7)11/h3,6H,2,4H2,1H3
InChIKeyWZIHWYZHFQELIT-UHFFFAOYSA-N
XLogP1.20
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-cyano-2-fluoro-4-methylphenyl)acetate
CID 134633595
ethyl 2-(5-cyano-2-fluorophenyl)acetate
CID 134652042
ethyl 2-[6-cyano-3-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 171029685
ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate
CID 134655699
ethyl 2-(2-cyano-6-fluoro-4-pyridinyl)acetate
CID 171028546
ethyl 2-[2-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686578
ethyl 2-(2-cyano-5-ethyl-4-fluorophenyl)acetate
CID 134654353
ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate
CID 133097335
ethyl 2-(3-cyano-5-fluoro-2-pyridinyl)acetate
CID 133097544
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451
ethyl 2-(6-chloro-4-cyano-3-pyridinyl)acetate
CID 133097864
ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate
CID 133096810

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate?
The IUPAC name of ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate (CID 133097564) is ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate is CCOC(=O)Cc1cc(C#N)ncc1F.
What is the InChIKey of ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate?
The InChIKey is WZIHWYZHFQELIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-2-15-10(14)4-7-3-8(5-12)13-6-9(7)11/h3,6H,2,4H2,1H3.
What are the key properties of ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate?
ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate has a molecular weight of 208.19 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate is sourced from PubChem (CID 133097564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).