ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate

C11H13F2NO4 — CID 133103499

IUPACethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1cc(OC)c(C(F)F)[nH]c1=O
InChIInChI=1S/C11H13F2NO4/c1-3-18-8(15)5-6-4-7(17-2)9(10(12)13)14-11(6)16/h4,10H,3,5H2,1-2H3,(H,14,16)
InChIKeyWRGZMZXXUSIAHP-UHFFFAOYSA-N
MW261.22 g/mol
LogP1.43
Rot. Bonds5

About ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate

ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate (PubChem CID 133103499) has the molecular formula C11H13F2NO4 and a molecular weight of 261.22 g/mol. Its IUPAC name is ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate
PubChem CID133103499
Molecular FormulaC11H13F2NO4
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1cc(OC)c(C(F)F)[nH]c1=O
InChIInChI=1S/C11H13F2NO4/c1-3-18-8(15)5-6-4-7(17-2)9(10(12)13)14-11(6)16/h4,10H,3,5H2,1-2H3,(H,14,16)
InChIKeyWRGZMZXXUSIAHP-UHFFFAOYSA-N
XLogP1.43
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate
CID 133106232
ethyl 2-[5-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102186
ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate
CID 133103526
ethyl 2-(2-fluoro-5-methoxy-4-methylphenyl)acetate
CID 171008386
ethyl 2-(4-fluoro-5-methoxy-2-methylphenyl)acetate
CID 171008387
ethyl 2-[3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103021
ethyl 2-[5-(difluoromethyl)-6-nitro-2-oxo-1H-pyridin-3-yl]acetate
CID 133103191
ethyl 2-[2-(chloromethyl)-5-methoxy-4-methylphenyl]acetate
CID 171023725
ethyl 2-[2-(bromomethyl)-5-methoxy-4-methylphenyl]acetate
CID 171017989
6-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
CID 119013990
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085326
ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093525

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate (CID 133103499) is ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate is CCOC(=O)Cc1cc(OC)c(C(F)F)[nH]c1=O.
What is the InChIKey of ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate?
The InChIKey is WRGZMZXXUSIAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4/c1-3-18-8(15)5-6-4-7(17-2)9(10(12)13)14-11(6)16/h4,10H,3,5H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate?
ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate has a molecular weight of 261.22 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 133103499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).