ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate

C11H10F2N2O3 — CID 134685670

IUPACethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)c(C(F)F)c(C#N)[nH]1
InChIInChI=1S/C11H10F2N2O3/c1-2-18-9(17)4-6-3-8(16)10(11(12)13)7(5-14)15-6/h3,11H,2,4H2,1H3,(H,15,16)
InChIKeyHMZKCYBMOGUILC-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.29
Rot. Bonds4

About ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate

ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate (PubChem CID 134685670) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
PubChem CID134685670
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Nameethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)c(C(F)F)c(C#N)[nH]1
InChIInChI=1S/C11H10F2N2O3/c1-2-18-9(17)4-6-3-8(16)10(11(12)13)7(5-14)15-6/h3,11H,2,4H2,1H3,(H,15,16)
InChIKeyHMZKCYBMOGUILC-UHFFFAOYSA-N
XLogP1.29
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 133093261
ethyl 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-2-yl]acetate
CID 133103249
ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660644
ethyl 2-[5-cyano-2-(difluoromethyl)-3-methylphenyl]acetate
CID 134633590
ethyl 2-[6-cyano-3-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 171029685
ethyl 2-[3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103021
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134685667
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 133102959
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451
ethyl 2-[2-cyano-3-(difluoromethyl)-4-fluorophenyl]acetate
CID 134654457
ethyl 2-[3-(chloromethyl)-5-cyano-4-(difluoromethyl)phenyl]acetate
CID 134632963
ethyl 2-[2-cyano-5-(difluoromethyl)-3-ethylphenyl]acetate
CID 134614971

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate (CID 134685670) is ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate is CCOC(=O)Cc1cc(=O)c(C(F)F)c(C#N)[nH]1.
What is the InChIKey of ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
The InChIKey is HMZKCYBMOGUILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-2-18-9(17)4-6-3-8(16)10(11(12)13)7(5-14)15-6/h3,11H,2,4H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate has a molecular weight of 256.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 134685670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).