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

C10H10F3NO5 — CID 134665717

IUPACmethyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(OC(F)(F)F)cc(=O)c1OC
InChIInChI=1S/C10H10F3NO5/c1-17-8(16)3-5-9(18-2)6(15)4-7(14-5)19-10(11,12)13/h4H,3H2,1-2H3,(H,14,15)
InChIKeyDDJXVDVABSZKNH-UHFFFAOYSA-N
MW281.19 g/mol
LogP1.00
Rot. Bonds4

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

methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (PubChem CID 134665717) has the molecular formula C10H10F3NO5 and a molecular weight of 281.19 g/mol. Its IUPAC name is methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
PubChem CID134665717
Molecular FormulaC10H10F3NO5
Molecular Weight281.19 g/mol
Exact Mass281.05
IUPAC Namemethyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(OC(F)(F)F)cc(=O)c1OC
InChIInChI=1S/C10H10F3NO5/c1-17-8(16)3-5-9(18-2)6(15)4-7(14-5)19-10(11,12)13/h4H,3H2,1-2H3,(H,14,15)
InChIKeyDDJXVDVABSZKNH-UHFFFAOYSA-N
XLogP1.00
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134664528
methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134662054
methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134665198
methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 134667295
methyl 2-[6-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134679042
ethyl 2-[2-(aminomethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134678407
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-[3-methyl-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134658759
methyl 2-[2-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134677693
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134663085

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (CID 134665717) is methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is COC(=O)Cc1[nH]c(OC(F)(F)F)cc(=O)c1OC.
What is the InChIKey of methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The InChIKey is DDJXVDVABSZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO5/c1-17-8(16)3-5-9(18-2)6(15)4-7(14-5)19-10(11,12)13/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate has a molecular weight of 281.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 134665717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).