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

C10H7F6NO4 — CID 134667295

IUPACmethyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(=O)cc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C10H7F6NO4/c1-20-7(19)3-5-8(21-10(14,15)16)4(9(11,12)13)2-6(18)17-5/h2H,3H2,1H3,(H,17,18)
InChIKeyGXLLIDFBLYUSFL-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.01
Rot. Bonds3

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

methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate (PubChem CID 134667295) has the molecular formula C10H7F6NO4 and a molecular weight of 319.16 g/mol. Its IUPAC name is methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
PubChem CID134667295
Molecular FormulaC10H7F6NO4
Molecular Weight319.16 g/mol
Exact Mass319.03
IUPAC Namemethyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(=O)cc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C10H7F6NO4/c1-20-7(19)3-5-8(21-10(14,15)16)4(9(11,12)13)2-6(18)17-5/h2H,3H2,1H3,(H,17,18)
InChIKeyGXLLIDFBLYUSFL-UHFFFAOYSA-N
XLogP2.01
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-methyl-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134658759
methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134662054
methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665717
methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134668453
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-[6-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134679042
6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 133087830
methyl 6-oxo-2-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134666243
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate
CID 2324443
2-[4-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetic acid
CID 134664501

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate (CID 134667295) is methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate is COC(=O)Cc1[nH]c(=O)cc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate?
The InChIKey is GXLLIDFBLYUSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO4/c1-20-7(19)3-5-8(21-10(14,15)16)4(9(11,12)13)2-6(18)17-5/h2H,3H2,1H3,(H,17,18).
What are the key properties of methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate?
methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate has a molecular weight of 319.16 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 134667295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).