ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate

C11H11FN2O2 — CID 104572268

IUPACethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate
SMILESCCOC(=O)C(C)(C#N)c1ccc(F)cn1
InChIInChI=1S/C11H11FN2O2/c1-3-16-10(15)11(2,7-13)9-5-4-8(12)6-14-9/h4-6H,3H2,1-2H3
InChIKeyFKWNZMPEMQXJSN-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.57
Rot. Bonds3

About ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate

ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate (PubChem CID 104572268) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate
PubChem CID104572268
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Nameethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate
SMILESCCOC(=O)C(C)(C#N)c1ccc(F)cn1
InChIInChI=1S/C11H11FN2O2/c1-3-16-10(15)11(2,7-13)9-5-4-8(12)6-14-9/h4-6H,3H2,1-2H3
InChIKeyFKWNZMPEMQXJSN-UHFFFAOYSA-N
XLogP1.57
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-bromo-2-pyridinyl)-2-cyanopropanoate
CID 104572258
ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
CID 83119923
ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2,2-dimethylpentanoate
CID 112586432
ethyl 2-cyano-2-[4-(trifluoromethyl)-2-pyridinyl]propanoate
CID 104572310
ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83120217
ethyl 2-(5-chloropyrimidin-2-yl)-2-cyanopropanoate
CID 104572337
ethyl 2-cyano-2-pyridin-4-ylpropanoate
CID 12758197
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
CID 83129036
ethyl 2,2-difluoro-3-(5-fluoro-2-pyridinyl)-3-oxopropanoate
CID 79713225
ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate
CID 83119614
ethyl 2-(5-fluoro-2-pyridinyl)-2-piperazin-1-ylbutanoate
CID 115938867
methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate?
The IUPAC name of ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate (CID 104572268) is ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate?
The canonical SMILES for ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate is CCOC(=O)C(C)(C#N)c1ccc(F)cn1.
What is the InChIKey of ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate?
The InChIKey is FKWNZMPEMQXJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-3-16-10(15)11(2,7-13)9-5-4-8(12)6-14-9/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate?
ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate has a molecular weight of 222.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate is sourced from PubChem (CID 104572268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).