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

C10H10F3NO3 — CID 133106232

IUPACethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1cc(F)c(=O)[nH]c1C(F)F
InChIInChI=1S/C10H10F3NO3/c1-2-17-7(15)4-5-3-6(11)10(16)14-8(5)9(12)13/h3,9H,2,4H2,1H3,(H,14,16)
InChIKeyIZGSNOIPRASOLW-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.56
Rot. Bonds4

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

ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate (PubChem CID 133106232) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate
PubChem CID133106232
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Nameethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1cc(F)c(=O)[nH]c1C(F)F
InChIInChI=1S/C10H10F3NO3/c1-2-17-7(15)4-5-3-6(11)10(16)14-8(5)9(12)13/h3,9H,2,4H2,1H3,(H,14,16)
InChIKeyIZGSNOIPRASOLW-UHFFFAOYSA-N
XLogP1.56
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate
CID 133103499
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756
ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate
CID 133103526
ethyl 2-[3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103021
methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133093512
ethyl 2-[5-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102186
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-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093525
ethyl 2-[4-(bromomethyl)-2-fluoro-5-methylphenyl]acetate
CID 171017342
ethyl 2-[5-(difluoromethyl)-6-nitro-2-oxo-1H-pyridin-3-yl]acetate
CID 133103191
ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate
CID 133103019

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate (CID 133106232) is ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate is CCOC(=O)Cc1cc(F)c(=O)[nH]c1C(F)F.
What is the InChIKey of ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate?
The InChIKey is IZGSNOIPRASOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-2-17-7(15)4-5-3-6(11)10(16)14-8(5)9(12)13/h3,9H,2,4H2,1H3,(H,14,16).
What are the key properties of ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate?
ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate has a molecular weight of 249.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 133106232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).