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

C10H10F3NO5 — CID 134665198

IUPACmethyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(OC(F)(F)F)[nH]c(OC)cc1=O
InChIInChI=1S/C10H10F3NO5/c1-17-7-4-6(15)5(3-8(16)18-2)9(14-7)19-10(11,12)13/h4H,3H2,1-2H3,(H,14,15)
InChIKeyLMWJDTHDJHXGKR-UHFFFAOYSA-N
MW281.19 g/mol
LogP1.00
Rot. Bonds4

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

methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate (PubChem CID 134665198) has the molecular formula C10H10F3NO5 and a molecular weight of 281.19 g/mol. Its IUPAC name is methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
PubChem CID134665198
Molecular FormulaC10H10F3NO5
Molecular Weight281.19 g/mol
Exact Mass281.05
IUPAC Namemethyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(OC(F)(F)F)[nH]c(OC)cc1=O
InChIInChI=1S/C10H10F3NO5/c1-17-7-4-6(15)5(3-8(16)18-2)9(14-7)19-10(11,12)13/h4H,3H2,1-2H3,(H,14,15)
InChIKeyLMWJDTHDJHXGKR-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-[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 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665717
methyl 2-[2-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134677693
methyl 2-[6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134681147
ethyl 2-[2-(aminomethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134678407
methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134662199
methyl 2-[5-iodo-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134659695
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
ethyl 2-[5-(chloromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134664506
methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134663085
methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134662054

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The IUPAC name of methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate (CID 134665198) is methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate is COC(=O)Cc1c(OC(F)(F)F)[nH]c(OC)cc1=O.
What is the InChIKey of methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The InChIKey is LMWJDTHDJHXGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO5/c1-17-7-4-6(15)5(3-8(16)18-2)9(14-7)19-10(11,12)13/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-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-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 134665198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).