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

C10H9F4NO4 — CID 134662054

IUPACmethyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(CF)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C10H9F4NO4/c1-18-8(17)3-6-9(19-10(12,13)14)7(16)2-5(4-11)15-6/h2H,3-4H2,1H3,(H,15,16)
InChIKeyJGIDINUTUYTKFN-UHFFFAOYSA-N
MW283.18 g/mol
LogP1.46
Rot. Bonds4

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

methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (PubChem CID 134662054) has the molecular formula C10H9F4NO4 and a molecular weight of 283.18 g/mol. Its IUPAC name is methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
PubChem CID134662054
Molecular FormulaC10H9F4NO4
Molecular Weight283.18 g/mol
Exact Mass283.05
IUPAC Namemethyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(CF)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C10H9F4NO4/c1-18-8(17)3-6-9(19-10(12,13)14)7(16)2-5(4-11)15-6/h2H,3-4H2,1H3,(H,15,16)
InChIKeyJGIDINUTUYTKFN-UHFFFAOYSA-N
XLogP1.46
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134679042
methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665717
methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 134667295
6-(fluoromethyl)-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111986
methyl 2-[5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660865
methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134664528
methyl 6-(fluoromethyl)-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134660816
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
6-(chloromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112451
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-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134663170

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (CID 134662054) is methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is COC(=O)Cc1[nH]c(CF)cc(=O)c1OC(F)(F)F.
What is the InChIKey of methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The InChIKey is JGIDINUTUYTKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO4/c1-18-8(17)3-6-9(19-10(12,13)14)7(16)2-5(4-11)15-6/h2H,3-4H2,1H3,(H,15,16).
What are the key properties of methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate has a molecular weight of 283.18 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 134662054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).