methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate

C10H8F5NO4 — CID 134662199

IUPACmethyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(OC(F)(F)F)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C10H8F5NO4/c1-19-7(17)2-4-6(20-10(13,14)15)3-5(8(11)12)16-9(4)18/h3,8H,2H2,1H3,(H,16,18)
InChIKeyARVJCPAQGHCLNG-UHFFFAOYSA-N
MW301.17 g/mol
LogP1.93
Rot. Bonds4

About methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate

methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate (PubChem CID 134662199) has the molecular formula C10H8F5NO4 and a molecular weight of 301.17 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
PubChem CID134662199
Molecular FormulaC10H8F5NO4
Molecular Weight301.17 g/mol
Exact Mass301.04
IUPAC Namemethyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(OC(F)(F)F)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C10H8F5NO4/c1-19-7(17)2-4-6(20-10(13,14)15)3-5(8(11)12)16-9(4)18/h3,8H,2H2,1H3,(H,16,18)
InChIKeyARVJCPAQGHCLNG-UHFFFAOYSA-N
XLogP1.93
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102419
methyl 2-[4-(bromomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133102630
methyl 2-[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093219
methyl 2-[6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134681147
ethyl 6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134664536
methyl 2-[2-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134677693
methyl 2-[3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 134686450
methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134663085
methyl 2-[5-methyl-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680985
methyl 2-[3-methyl-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134678346
methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate
CID 170998947
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661443

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate (CID 134662199) is methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate is COC(=O)Cc1c(OC(F)(F)F)cc(C(F)F)[nH]c1=O.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The InChIKey is ARVJCPAQGHCLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO4/c1-19-7(17)2-4-6(20-10(13,14)15)3-5(8(11)12)16-9(4)18/h3,8H,2H2,1H3,(H,16,18).
What are the key properties of methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate has a molecular weight of 301.17 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 134662199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).