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

C10H9F4NO4 — CID 134664528

IUPACmethyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(OC(F)(F)F)cc(=O)c1CF
InChIInChI=1S/C10H9F4NO4/c1-18-9(17)2-6-5(4-11)7(16)3-8(15-6)19-10(12,13)14/h3H,2,4H2,1H3,(H,15,16)
InChIKeySDKBBUVBKAHIMQ-UHFFFAOYSA-N
MW283.18 g/mol
LogP1.46
Rot. Bonds4

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

methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (PubChem CID 134664528) has the molecular formula C10H9F4NO4 and a molecular weight of 283.18 g/mol. Its IUPAC name is methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
PubChem CID134664528
Molecular FormulaC10H9F4NO4
Molecular Weight283.18 g/mol
Exact Mass283.05
IUPAC Namemethyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(OC(F)(F)F)cc(=O)c1CF
InChIInChI=1S/C10H9F4NO4/c1-18-9(17)2-6-5(4-11)7(16)3-8(15-6)19-10(12,13)14/h3H,2,4H2,1H3,(H,15,16)
InChIKeySDKBBUVBKAHIMQ-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-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665717
ethyl 2-[2-(aminomethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134678407
methyl 2-[5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660865
methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134665198
methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134662054
methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134663085
methyl 2-[3-methyl-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134678346
methyl 2-[5-methyl-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680985
methyl 2-[3-methyl-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134658759
methyl 2-[6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134681147
methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 134667295
methyl 2-[3-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134666451

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (CID 134664528) is methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is COC(=O)Cc1[nH]c(OC(F)(F)F)cc(=O)c1CF.
What is the InChIKey of methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The InChIKey is SDKBBUVBKAHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO4/c1-18-9(17)2-6-5(4-11)7(16)3-8(15-6)19-10(12,13)14/h3H,2,4H2,1H3,(H,15,16).
What are the key properties of methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
methyl 2-[3-(fluoromethyl)-4-oxo-6-(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-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 134664528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).